Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6180313

COc1cc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC.Cl

nearest known ligand 0.70

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
EGFR known ✓ P00533 13/20 0.70
CDK4 known ✓ P11802 1/20 0.70
LCK known ✓ P06239 5/20 0.65
SRC known ✓ P12931 1/20 0.65
KDR known ✓ P35968 7/20 0.63
RET known ✓ P07949 2/20 0.62
FLT1 known ✓ P17948 1/20 0.62
FLT3 known ✓ P36888 1/20 0.62
ALK known ✓ Q9UM73 1/20 0.62
ERBB2 known ✓ P04626 1/20 0.60
AURKA O14965 1/20 0.70
INSR P06213 1/20 0.70
IGF1R P08069 1/20 0.70
AURKB Q96GD4 1/20 0.70
MAPT P10636 1/20 0.65
MAPK1 P28482 1/20 0.65
AHR P35869 1/20 0.65
HTT P42858 1/20 0.65
GAK O14976 1/20 0.62
RIPK2 O43353 1/20 0.62

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
SCHEMBL4890620 0.99 EGFR (0.71) EGFRAURKAINSRIGF1RCDK4
SCHEMBL4931410 0.86 MAPT (0.66) EGFRAURKAINSRIGF1RCDK4
SCHEMBL5652185 0.83 KDR (0.80) KDR
SCHEMBL4758836 0.82 MAPT (0.60) EGFRAURKAINSRIGF1RCDK4
SCHEMBL4935871 0.82 RAF1 (0.64) EGFRAURKAINSRIGF1RCDK4
SCHEMBL14026144 0.81 MAPT (0.77) EGFRMAPTMAPK1AHRHTT
SCHEMBL4890611 0.81 EGFR (0.67) EGFRAURKAINSRIGF1RCDK4
SCHEMBL4938676 0.80 MAPT (0.60) EGFRAURKAINSRIGF1RCDK4
SCHEMBL4008515 0.80 MAPT (0.80) EGFRMAPTMAPK1AHRHTT
SCHEMBL4937051 0.80 KDR (0.62) EGFRAURKAAURKBMAPTMAPK1

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 18 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 claimed
US-20040014774-A1 Aryl and heteroaryl quinazoline compounds which inhibit CSF-1R receptor tyrosine kinase AVENTIS PHARMACEUTICALS INC. 2004-01-22 US claimed
EP-0871448-A4 ARYL AND HETEROARYL QUINAZOLINE COMPOUNDS WHICH INHIBIT CSF-1R RECEPTOR TYROSINE KINASE RHONE POULENC RORER PHARMA (US) 1999-12-29 EP claimed
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 claimed
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 claimed
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
US-RE37650-E1 Aryl and heteroaryl quinazoline compounds which inhibit CSF-1R receptor tyrosine kinase AVENTIS PHARMACETICAL PRODUCTS, INC. 2002-04-09 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 EGFR 628/4885CDK4 779/4885LCK 114/4885

“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.