Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1401313

COc1cc2ncc(NC3CCCCC3)nc2cc1Br.Cl

nearest known ligand 0.81

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 9)

geneUniProtsupporting neighboursconfidence
PDGFRB known ✓ P09619 16/20 0.81
PDGFRA known ✓ P16234 16/20 0.81
EGFR known ✓ P00533 1/20 0.62
LCK known ✓ P06239 1/20 0.62
INSR P06213 1/20 0.62
PDE10A Q9Y233 2/20 0.45
CCR4 P51679 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1401332 0.99 PDGFRB (0.83) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL1401280 0.90 PDGFRB (1.00) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL1401327 0.90 PDGFRB (1.00) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL1401392 0.88 PDGFRB (1.00) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL12856395 0.80 PDGFRB (0.76) PDGFRBPDGFRAEGFRINSRLCK
Hydrochloric Acid SCHEMBL7872629 0.79 PDGFRB (0.97) PDGFRBPDGFRAEGFRINSRLCK
Hydrochloric Acid SCHEMBL1401374 0.79 PDGFRB (0.97) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL7651057 0.78 PDGFRB (0.80) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL19518023 0.78 PDGFRB (0.57) PDGFRBPDGFRAEGFRINSRLCK
SCHEMBL842647 0.77 PDGFRB (1.00) PDGFRBPDGFRAEGFRINSRLCK

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001945-B1 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR p56lck TYROSINE KINASES AVENTIS PHARMA INC (US) 2011-03-02 EP claimed
US-20030139399-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS INC. 2003-07-24 US claimed
US-20030139400-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and /or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS PRODUCTS INC. 2003-07-24 US claimed
US-20030130285-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS INC. 2003-07-10 US claimed
EP-1133480-A1 QUINOLINE AND QUINOXALINE COMPOUNDS AS PDGF-RECEPTOR AND/OR LCK TYROSINE KINASE INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-09-19 EP claimed
US-6180632-B1 USE OF THESE COMPOUNDS FOR TREATING DISORDERS/CONDITIONS INVOLVING CELLULAR DIFFERENTIATION, PROLIFERATION, EXTRACELLULAR MATRIX PRODUCTION OR MEDIATOR RELEASE AND/OR T CELL ACTIVATION AND PROLIFERATION AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-01-30 US claimed
EP-1001945-A4 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR p56?lck TYROSINE KINASES RHONE POULENC RORER PHARMA (US) 2000-07-26 EP claimed
WO-2000031051-A1 QUINOLINE AND QUINOXALINE COMPOUNDS AS PDGF-RECEPTOR AND/OR LCK TYROSINE KINASE INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-02 WO claimed
EP-1001945-A1 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR p56?lck TYROSINE KINASES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 2000-05-24 EP claimed
EP-1001945-B1 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR p56lck TYROSINE KINASES AVENTIS PHARMA INC (US) 2011-03-02 EP disclosed
US-6852712-B2 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS INC. (US) 2005-02-08 US disclosed
US-6821962-B2 CONTROLLING CELL DIFFERENTIATION; ANTIINFLAMMATORY AGENTS AVENTIS PHARMACEUTICALS INC. 2004-11-23 US disclosed
US-6696434-B2 CONTROLLING CELL DIFFERENTIATION, CELL PROLIFERATION AVENTIS PHARMACEUTICALS INC. 2004-02-24 US disclosed
US-20030139400-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and /or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS PRODUCTS INC. 2003-07-24 US disclosed
EP-1133480-A1 QUINOLINE AND QUINOXALINE COMPOUNDS AS PDGF-RECEPTOR AND/OR LCK TYROSINE KINASE INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-09-19 EP disclosed
US-6180632-B1 USE OF THESE COMPOUNDS FOR TREATING DISORDERS/CONDITIONS INVOLVING CELLULAR DIFFERENTIATION, PROLIFERATION, EXTRACELLULAR MATRIX PRODUCTION OR MEDIATOR RELEASE AND/OR T CELL ACTIVATION AND PROLIFERATION AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-01-30 US disclosed
EP-1001945-A4 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR p56?lck TYROSINE KINASES RHONE POULENC RORER PHARMA (US) 2000-07-26 EP disclosed
WO-2000031051-A1 QUINOLINE AND QUINOXALINE COMPOUNDS AS PDGF-RECEPTOR AND/OR LCK TYROSINE KINASE INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-02 WO disclosed
EP-1001945-A1 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR p56?lck TYROSINE KINASES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 2000-05-24 EP disclosed
WO-1998054158-A1 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR p56lck TYROSINE KINASES RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-12-03 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 (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-20030139400-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and /or p56lck tyrosine kinases LCK, LTK, PTK6 PDGFRB 27/4885PDGFRA 32/4885EGFR 1365/4885
US-20030130285-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases LCK, LTK, PTK6 PDGFRB 27/4885PDGFRA 32/4885EGFR 1365/4885
US-20030139399-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases LCK, LTK, PTK6 PDGFRB 27/4885PDGFRA 32/4885EGFR 1365/4885

“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.