Hydrochloric Acid

Hydrochloric Acid

SCHEMBL20855346

Cl.Cl.NC(=O)c1ccc(-c2cnc(N3CCNCC3)nc2)nc1

nearest known ligand 0.47

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 16)

geneUniProtsupporting neighboursconfidence
ACVR1 known ✓ Q04771 1/20 0.46
SRC known ✓ P12931 1/20 0.43
PRKD1 known ✓ Q15139 4/20 0.42
PRKD3 known ✓ O94806 1/20 0.42
HDAC6 known ✓ Q9UBN7 2/20 0.41
HDAC1 known ✓ Q13547 1/20 0.39
HDAC10 known ✓ Q969S8 1/20 0.39
HPGDS O60760 1/20 0.47
MAPT P10636 1/20 0.43
PRKD2 Q9BZL6 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
FEN1 P39748 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
Hydrochloric Acid SCHEMBL20293534 0.85 ACVR1 (0.54) ACVR1SRCPRKD1PRKD2PRKD3
Hydrochloric Acid SCHEMBL30422704 0.85 ALDH1A1 (0.53) ACVR1SRCPRKD1PRKD2PRKD3
SCHEMBL25419798 0.83 CHRNB2 (0.51) ACVR1SRCPRKD1PRKD2PRKD3
Hydrochloric Acid SCHEMBL20293586 0.79 MAP3K11 (0.50) PRKD1PRKD2PRKD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL22371670 0.79 MAPKAPK2 (0.46) MAPTPRKD1PRKD2PRKD3KDM4E
Hydrochloric Acid SCHEMBL29475075 0.78 PARP1 (0.52) HPGDSACVR1HDAC6HDAC1HDAC10
Formic Acid SCHEMBL30422664 0.78 CHRNB2 (0.47) ACVR1SRCPRKD1PRKD2PRKD3
Hydrochloric Acid SCHEMBL20293568 0.77 FEN1 (0.50) ACVR1KDM4EALDH1A1FEN1TAAR1
SCHEMBL29524173 0.76 PARP1 (0.53) HPGDSACVR1HDAC6HDAC1HDAC10
SCHEMBL2706925 0.76 PARP1 (0.53) HPGDSACVR1HDAC6HDAC1HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3687989-B1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2024-02-28 EP disclosed
US-11285153-B2 Substituted pyrimidine piperazine compound and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-03-29 US disclosed
CN-109574993-B Substituted pyrimidinylpiperazine compounds and uses thereof 广东东阳光药业有限公司 2020-12-18 CN disclosed
US-20200276196-A1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-09-03 US disclosed
EP-3687989-A1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2020-08-05 EP disclosed
WO-2019062662-A1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-04-04 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 (2 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-20200276196-A1 SUBSTITUTED PYRIMIDINE PIPERAZINE COMPOUND AND USE THEREOF HTR5A, TPH1, HTR2C ACVR1 3325/4885SRC 2672/4885PRKD1 3232/4885
US-11285153-B2 Substituted pyrimidine piperazine compound and use thereof HTR5A, TPH1, HTR2C ACVR1 3325/4885SRC 2672/4885PRKD1 3232/4885

“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.