Hydrochloric Acid

Hydrochloric Acid

SCHEMBL18209674

Cl.Nc1cnn2c1C(=O)NCC2

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 known ✓ P09874 4/20 0.35
GAA known ✓ P10253 1/20 0.33
PRKD3 known ✓ O94806 1/20 0.30
CSF1R known ✓ P07333 1/20 0.30
RET known ✓ P07949 1/20 0.30
FGFR1 known ✓ P11362 1/20 0.30
FLT1 known ✓ P17948 1/20 0.30
KDR known ✓ P35968 1/20 0.30
ALK known ✓ Q9UM73 1/20 0.30
CDC7 O00311 1/20 0.36
ALOX5 P09917 3/20 0.34
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
ALDH1A1 P00352 1/20 0.33
P2RX7 Q99572 1/20 0.33
ABCB11 O95342 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
CHEK1 O14757 1/20 0.30
DAPK3 O43293 1/20 0.30
MAP4K4 O95819 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18209656 0.98 CDC7 (0.36) CDC7PARP1ALOX5ALOX5APFEN1
SCHEMBL16682624 0.77 CDC7 (0.36) CDC7PARP1ALOX5ALOX5APFEN1
SCHEMBL18198141 0.77 PARP1 (0.38) CDC7PARP1ALOX5ALOX5APFEN1
SCHEMBL16402566 0.77 PARP1 (0.38) CDC7PARP1ALOX5ALOX5APFEN1
SCHEMBL20400002 0.76 CDC7 (0.33) CDC7PARP1ALOX5ALOX5APFEN1
SCHEMBL26988582 0.76 ALOX5 (0.36) CDC7PARP1ALOX5ALOX5APFEN1
SCHEMBL25427947 0.75 ALOX5 (0.36) CDC7PARP1ALOX5ALOX5APFEN1
SCHEMBL18215199 0.73 ALOX5 (0.41) CDC7PARP1ALOX5ALOX5APFEN1
SCHEMBL30229307 0.73 PARP1 (0.36) CDC7PARP1ALOX5ALOX5APFEN1
SCHEMBL27199355 0.72 CYP1A2 (0.39) CDC7PARP1ALOX5ALOX5APFEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317767-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2024-09-26 US disclosed
US-12024523-B2 Pyrazole derivatives useful as 5-lipoxygenase activating protein (FLAP) inhibitors ASTRAZENECA AB (SE) 2024-07-02 US disclosed
US-20230219967-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2023-07-13 US disclosed
CN-109890385-B Crystalline forms of (1R,2R) -2- [4- (3-methyl-1H-pyrazol-5-yl) benzoyl ] -N- (4-oxo-4, 5,6, 7-tetrahydropyrazolo [1,5-a ] pyrazin-3-yl) cyclohexanecarboxamide 阿斯利康(瑞典)有限公司 2022-08-02 CN disclosed
EP-3670499-B1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2021-09-29 EP disclosed
US-11001589-B2 Pyrazole derivatives useful as 5-lipoxygenase activating protein (FLAP) inhibitors ASTRAZENECA AB (SE) 2021-05-11 US disclosed
EP-3670499-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS Astrazeneca AB (SE) 2020-06-24 EP disclosed
US-10689387-B2 Crystalline form of (1R,2R)-2-[4-(3-methyl-1H-pyrazol-5-yl)benzoyl]-N-(4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-A]pyrazin-3-yl)cyclohexanecarboxamide ASTRAZENECA AB (SE) 2020-06-23 US disclosed
US-20200157113-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2020-05-21 US disclosed
EP-3292105-B1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2019-10-02 EP disclosed
US-20190276460-A1 CRYSTALLINE FORM OF (1R,2R)-2-[4-(3-METHY1-1H-PYRAZOL-5-YL)BENZOYL]-N-(4-OXO-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZIN-3-YL)CYCLOHEXANECARBOXAMIDE ASTRAZENECA AB (SE) 2019-09-12 US disclosed
US-20190084991-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2019-03-21 US disclosed
US-10183947-B2 Pyrazole derivatives useful as 5-lipoxygenase activating protein (FLAP) inhibitors ASTRAZENECA AB (SE) 2019-01-22 US disclosed
US-20180237439-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2018-08-23 US disclosed
EP-3292105-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS AstraZeneca AB (SE) 2018-03-14 EP disclosed
WO-2016177703-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2016-11-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200157113-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, LIPG, ALOX15 PARP1 1021/4885GAA 2341/4885PRKD3 408/4885
US-10183947-B2 Pyrazole derivatives useful as 5-lipoxygenase activating protein (FLAP) inhibitors ALOX5, LIPG, ALOX15 PARP1 1021/4885GAA 2341/4885PRKD3 408/4885
US-10689387-B2 Crystalline form of (1R,2R)-2-[4-(3-methyl-1H-pyrazol-5-yl)benzoyl]-N-(4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-A]pyrazin-3-yl)cyclohexanecarboxamide RYR2, FABP3, RYR1 PARP1 1222/4885GAA 1920/4885PRKD3 3961/4885
US-20190276460-A1 CRYSTALLINE FORM OF (1R,2R)-2-[4-(3-METHY1-1H-PYRAZOL-5-YL)BENZOYL]-N-(4-OXO-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZIN-3-YL)CYCLOHEXANECARBOXAMIDE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NOD1, ALB PARP1 1073/4885GAA 997/4885PRKD3 4285/4885
US-20230219967-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, LIPG, ALOX15 PARP1 1021/4885GAA 2341/4885PRKD3 408/4885
US-20240317767-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, LIPG, ALOX15 PARP1 1021/4885GAA 2341/4885PRKD3 408/4885
US-20190084991-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, LIPG, ALOX15 PARP1 1021/4885GAA 2341/4885PRKD3 408/4885
US-12024523-B2 Pyrazole derivatives useful as 5-lipoxygenase activating protein (FLAP) inhibitors ALOX5, LIPG, ALOX15 PARP1 1021/4885GAA 2341/4885PRKD3 408/4885
US-11001589-B2 Pyrazole derivatives useful as 5-lipoxygenase activating protein (FLAP) inhibitors ALOX5, LIPG, ALOX15 PARP1 1021/4885GAA 2341/4885PRKD3 408/4885
US-20180237439-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, LIPG, ALOX15 PARP1 1021/4885GAA 2341/4885PRKD3 408/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.