Hydrochloric Acid

Hydrochloric Acid

SCHEMBL20720987

Cl.NCc1cc(=O)c2cc(-c3cn(-c4ccccc4)nn3)ccc2[nH]1

nearest known ligand 0.49

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
▸ PIK3CA known ✓ P42336 1/20 0.41
▸ MAOA known ✓ P21397 1/20 0.40
▸ CA2 known ✓ P00918 3/20 0.40
▸ PTGS2 known ✓ P35354 2/20 0.40
▸ KDR known ✓ P35968 3/20 0.39
▸ ROCK2 known ✓ O75116 3/20 0.39
▸ JAK2 known ✓ O60674 1/20 0.39
▸ PRKCG known ✓ P05129 1/20 0.39
▸ FGFR1 known ✓ P11362 1/20 0.39
▸ FLT4 known ✓ P35916 1/20 0.39
▸ PRKCD known ✓ Q05655 1/20 0.39
▸ ROCK1 known ✓ Q13464 1/20 0.39
▸ HDAC3 known ✓ O15379 3/20 0.38
▸ HDAC1 known ✓ Q13547 2/20 0.38
▸ HDAC2 known ✓ Q92769 2/20 0.38
▸ HDAC10 known ✓ Q969S8 2/20 0.38
▸ HDAC8 known ✓ Q9BY41 2/20 0.38
▸ HDAC6 known ✓ Q9UBN7 2/20 0.38
▸ PTGS1 known ✓ P23219 1/20 0.37
▸ CDC7 O00311 4/20 0.49

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
SCHEMBL19211200 0.99 CDC7 (0.50) CDC7KEAP1NFE2L2PIK3CAMAOA
SCHEMBL19211204 0.84 CDC7 (0.46) CDC7KEAP1NFE2L2PIK3CACA2
SCHEMBL19211194 0.81 LOXL2 (0.49) MAPK1LOXL2
SCHEMBL19249203 0.78 P2RY14 (0.43) CDC7CA2CA12CA9CA1
Hydrochloric Acid SCHEMBL19211316 0.78 PRMT5 (0.45) JAK2LOXL2
Hydrochloric Acid SCHEMBL18397934 0.77 LOXL2 (0.54) CDC7KEAP1NFE2L2PIK3CAMAOA
Hydrochloric Acid SCHEMBL18397863 0.77 LOXL2 (0.65) CDC7KEAP1NFE2L2PIK3CAMAOA
SCHEMBL19211206 0.76 PRMT5 (0.46) JAK2LOXL2
SCHEMBL17473667 0.76 PIK3CA (0.68) CDC7KEAP1NFE2L2PIK3CA
SCHEMBL18397886 0.75 LOXL2 (0.53) CDC7KEAP1NFE2L2PIK3CAMAOA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11058676-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2021-07-13 — — US disclosed
EP-3414229-B1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-06-16 — — EP disclosed
US-10588900-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-03-17 — — US disclosed
US-20190046520-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2019-02-14 — — US 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 (3 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-11058676-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX PIK3CA 4075/4885MAOA 69/4885CA2 1552/4885
US-20190046520-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX PIK3CA 4075/4885MAOA 69/4885CA2 1552/4885
US-10588900-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX PIK3CA 4075/4885MAOA 69/4885CA2 1552/4885

“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.

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