Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6182238

Cc1cc(C)cc(Nc2ncnc3cc(C)c(C)cc23)c1.Cl

nearest known ligand 0.57

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
RET known ✓ P07949 1/20 0.57
KDR known ✓ P35968 1/20 0.57
EGFR known ✓ P00533 13/20 0.51
LCK known ✓ P06239 4/20 0.51
PDGFRB known ✓ P09619 1/20 0.51
PDGFRA known ✓ P16234 1/20 0.51
ERBB2 known ✓ P04626 2/20 0.50
SRC known ✓ P12931 1/20 0.49
KIF5B P33176 1/20 0.57
HTT P42858 3/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1A Q16665 1/20 0.52
MAPK1 P28482 3/20 0.51
KDM4E B2RXH2 1/20 0.51
GAK O14976 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 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
SCHEMBL17833494 0.80 JAK3 (0.70) RETKIF5BKDRHTTLMNA
Hydrochloric Acid SCHEMBL9017037 0.79 HTT (0.81) KDRHTTLMNASMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL6184184 0.78 EGFR (0.71) HTTLMNAMAPTSMN1; SMN2HIF1A
SCHEMBL8986212 0.77 CYP1A2 (0.54) KDRHTTLMNAMAPTSMN1; SMN2
SCHEMBL3682274 0.76 FGFR1 (0.70) RETKIF5BKDRHTTEGFR
SCHEMBL17532922 0.76 EGFR (0.72) HTTLMNAMAPTSMN1; SMN2HIF1A
SCHEMBL15070939 0.76 EGFR (0.71) KDRMAPTEGFRMAPK1KDM4E
Hydrochloric Acid SCHEMBL8810179 0.76 EGFR (0.72) RETKDRHTTLMNAMAPT
SCHEMBL27410805 0.74 KDR (0.47) KDRHTTLMNAMAPTSMN1; SMN2
SCHEMBL12788058 0.74 EGFR (0.72) KDREGFRPDGFRBERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871448-B1 ARYL AND HETEROARYL QUINAZOLINE COMPOUNDS WHICH INHIBIT CSF-1R RECEPTOR TYROSINE KINASE AVENTIS PHARMA INC (US) 2005-03-02 EP disclosed
EP-1488792-A2 Quinazoline compounds which inhibit CSF-1R receptor tyrosine kinase Aventis Pharmaceuticals Products Inc. (US) 2004-12-22 EP disclosed
US-20040014774-A1 Aryl and heteroaryl quinazoline compounds which inhibit CSF-1R receptor tyrosine kinase AVENTIS PHARMACEUTICALS INC. 2004-01-22 US disclosed
US-6645969-B1 Antiproliferative, anticarcinogenic, and antiinflammatory agents; treatment of leukemia, psoriasis, bone disorders, and atherosclerosis AVENTIS PHARMACEUTICALS INC. 2003-11-11 US disclosed
EP-0871448-A4 ARYL AND HETEROARYL QUINAZOLINE COMPOUNDS WHICH INHIBIT CSF-1R RECEPTOR TYROSINE KINASE RHONE POULENC RORER PHARMA (US) 1999-12-29 EP disclosed
EP-0871448-A1 ARYL AND HETEROARYL QUINAZOLINE COMPOUNDS WHICH INHIBIT CSF-1R RECEPTOR TYROSINE KINASE RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-10-21 EP disclosed
EP-0831831-A4 PROTEIN TYROSINE KINASE ARYL AND HETEROARYL QUINAZOLINE COMPOUNDS HAVING SELECTIVE INHIBITION OF HER-2 AUTOPHOSPHORYLATION PROPERTIES RHONE POULENC RORER PHARMA (US) 1998-05-27 EP disclosed
EP-0831831-A1 PROTEIN TYROSINE KINASE ARYL AND HETEROARYL QUINAZOLINE COMPOUNDS HAVING SELECTIVE INHIBITION OF HER-2 AUTOPHOSPHORYLATION PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-04-01 EP disclosed
US-5721237-A ADMINISTERING FOR THE SELECTIVE TREATMENT OF CELL GROWTH AND DIFFERENTIATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-24 US disclosed
US-5714493-A ANTIINFLAMMATORY AGENT RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-02-03 US disclosed
WO-1996039145-A1 PROTEIN TYROSINE KINASE ARYL AND HETEROARYL QUINAZOLINE COMPOUNDS HAVING SELECTIVE INHIBITION OF HER-2 AUTOPHOSPHORYLATION PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-12 WO disclosed
WO-1995015758-A1 ARYL AND HETEROARYL QUINAZOLINE COMPOUNDS WHICH INHIBIT CSF-1R RECEPTOR TYROSINE KINASE RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-06-15 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 (1 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-20040014774-A1 Aryl and heteroaryl quinazoline compounds which inhibit CSF-1R receptor tyrosine kinase CSF1R, CSF3R, FLT3 RET 124/4885KDR 391/4885EGFR 628/4885

“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.