Hydrochloric Acid

Hydrochloric Acid

SCHEMBL641764

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(C)=O.Cl

nearest known ligand 0.80

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 19/20 0.80
ERBB2 known ✓ P04626 8/20 0.80
KDR known ✓ P35968 4/20 0.80
PDGFRB known ✓ P09619 1/20 0.80
FLT4 known ✓ P35916 1/20 0.80
HDAC3 known ✓ O15379 5/20 0.70
HDAC4 known ✓ P56524 5/20 0.70
HDAC1 known ✓ Q13547 5/20 0.70
HDAC7 known ✓ Q8WUI4 5/20 0.70
HDAC2 known ✓ Q92769 5/20 0.70
HDAC10 known ✓ Q969S8 5/20 0.70
HDAC11 known ✓ Q96DB2 5/20 0.70
HDAC8 known ✓ Q9BY41 5/20 0.70
HDAC6 known ✓ Q9UBN7 5/20 0.70
HDAC9 known ✓ Q9UKV0 5/20 0.70
HDAC5 known ✓ Q9UQL6 5/20 0.70
ERBB4 known ✓ Q15303 1/20 0.67
AURKA O14965 1/20 0.80
INSR P06213 1/20 0.80
FBP1 P09467 1/20 0.80

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
SCHEMBL3328655 0.99 EGFR (0.82) EGFRERBB2KDRAURKAINSR
SCHEMBL30968994 0.99 EGFR (0.82) EGFRERBB2KDRAURKAINSR
Hydrochloric Acid SCHEMBL3722776 0.93 EGFR (0.70) EGFRERBB2KDRAURKAINSR
SCHEMBL13006602 0.92 EGFR (0.71) EGFRERBB2KDRAURKAINSR
SCHEMBL14515605 0.91 EGFR (0.69) EGFRERBB2KDRAURKAINSR
Hydrochloric Acid SCHEMBL8436 0.91 EGFR (0.68) EGFRERBB2KDRAURKAINSR
Hydrochloric Acid SCHEMBL27887194 0.91 EGFR (0.98) EGFRERBB2KDRAURKAINSR
SCHEMBL30639946 0.90 EGFR (0.77) EGFRERBB2KDRAURKAINSR
SCHEMBL22630824 0.90 KDR (0.69) EGFRERBB2KDRAURKAINSR
SCHEMBL2099106 0.90 EGFR (1.00) EGFRERBB2KDRAURKAINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021212536-A1 METHOD FOR PREPARING 4-(3-CHLORO-4-FLUOROANILINE)-6-ACETOXY-7-METHOXY QUINAZOLINE HYDROCHLORIDE 江苏天士力帝益药业有限公司 (CN) 2021-10-28 WO claimed
CN-113549019-A Preparation method of 4- (3-chloro-4-fluoroaniline) -6-acetoxyl-7-methoxyquinazoline hydrochloride 江苏天士力帝益药业有限公司 2021-10-26 CN claimed
WO-2021212536-A1 METHOD FOR PREPARING 4-(3-CHLORO-4-FLUOROANILINE)-6-ACETOXY-7-METHOXY QUINAZOLINE HYDROCHLORIDE 江苏天士力帝益药业有限公司 (CN) 2021-10-28 WO disclosed
WO-2021212536-A1 METHOD FOR PREPARING 4-(3-CHLORO-4-FLUOROANILINE)-6-ACETOXY-7-METHOXY QUINAZOLINE HYDROCHLORIDE 江苏天士力帝益药业有限公司 (CN) 2021-10-28 WO disclosed
CN-113549019-A Preparation method of 4- (3-chloro-4-fluoroaniline) -6-acetoxyl-7-methoxyquinazoline hydrochloride 江苏天士力帝益药业有限公司 2021-10-26 CN disclosed
CN-113549019-A Preparation method of 4- (3-chloro-4-fluoroaniline) -6-acetoxyl-7-methoxyquinazoline hydrochloride 江苏天士力帝益药业有限公司 2021-10-26 CN disclosed
CN-113549019-A Preparation method of 4- (3-chloro-4-fluoroaniline) -6-acetoxyl-7-methoxyquinazoline hydrochloride 江苏天士力帝益药业有限公司 2021-10-26 CN disclosed
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2015-10-08 US disclosed
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2015-10-01 US disclosed
US-9108929-B2 Quinazoline based EGFR inhibitors CURIS, INC. (US) 2015-08-18 US disclosed
US-9024024-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-05-05 US disclosed
US-20030018029-A1 Quinazoline derivatives ZENECA LIMITED 2003-01-23 US disclosed
US-6399602-B1 ANTICANCER AGENTS ZENECA LIMITED (GB) 2002-06-04 US disclosed
EP-0892799-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-22 EP disclosed
EP-0823900-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-12-27 EP disclosed
US-5866572-A RECEPTOR TYROSINE KINASE INHIBITORY PROPERTIES, TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER. ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0892799-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1999-01-27 EP disclosed
US-5770603-A ANTICARCINOGENIC AGENTS ZENECA LIMITED (GB) 1998-06-23 US disclosed
US-5770599-A RECEPTOR TYROSINE KINASE INHIBITORS including 4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(2-morpholinoethoxy)quinazoline (gefitinib) ZENECA LIMITED (GB) 1998-06-23 US disclosed
WO-1997038994-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-10-23 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-20030018029-A1 Quinazoline derivatives ABL1, FGFR1, ERBB2 EGFR 25/4885ERBB2 3/4885KDR 309/4885
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 EGFR 1/4885ERBB2 5/4885KDR 330/4885
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, ERBB4, HDAC5 EGFR 1/4885ERBB2 7/4885KDR 308/4885

“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.