Hydrochloric Acid

Hydrochloric Acid

SCHEMBL18138489

COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C1CCNCC1.Cl.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 17)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 17/20 0.70
SRC known ✓ P12931 1/20 0.68
HDAC3 known ✓ O15379 2/20 0.66
HDAC4 known ✓ P56524 2/20 0.66
HDAC1 known ✓ Q13547 2/20 0.66
HDAC7 known ✓ Q8WUI4 2/20 0.66
HDAC2 known ✓ Q92769 2/20 0.66
HDAC10 known ✓ Q969S8 2/20 0.66
HDAC11 known ✓ Q96DB2 2/20 0.66
HDAC8 known ✓ Q9BY41 2/20 0.66
HDAC6 known ✓ Q9UBN7 2/20 0.66
HDAC9 known ✓ Q9UKV0 2/20 0.66
HDAC5 known ✓ Q9UQL6 2/20 0.66
ERBB2 known ✓ P04626 6/20 0.66
KDR known ✓ P35968 1/20 0.62
ERBB3 P21860 1/20 0.62
DUS2 Q9NX74 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
SCHEMBL2943425 0.99 EGFR (0.70) EGFRSRCHDAC3HDAC4HDAC1
Sulfuric Acid SCHEMBL18169004 0.96 EGFR (0.67) EGFRSRCHDAC3HDAC4HDAC1
SCHEMBL18169006 0.95 EGFR (0.66) EGFRSRCHDAC3HDAC4HDAC1
SCHEMBL13889540 0.91 EGFR (0.61) EGFRSRCHDAC3HDAC4HDAC1
SCHEMBL2944927 0.91 EGFR (0.75) EGFRSRCHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL18138465 0.90 EGFR (0.70) EGFRSRCHDAC3HDAC4HDAC1
SCHEMBL9911452 0.89 EGFR (0.69) EGFRSRCHDAC3HDAC4HDAC1
SCHEMBL16809094 0.89 EGFR (0.71) EGFRSRCHDAC3HDAC4HDAC1
Bromide SCHEMBL18138475 0.89 EGFR (0.70) EGFRSRCHDAC3HDAC4HDAC1
Oxalic Acid SCHEMBL20496149 0.87 EGFR (0.69) EGFRSRCHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081563-B1 QUINAZOLINE DERIVATIVE AND SALTS THEREOF FOR USE IN THE TREATMENT OF CANCER TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2018-09-19 EP disclosed
US-9840494-B2 Quinazoline derivative TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-12-12 US disclosed
US-20160311796-A1 QUINAZOLINE DERIVATIVE TIANJIN HEMAY PHARMACEUTICAL SCI-TECH CO., LTD 2016-10-27 US disclosed
EP-3081563-A1 QUINAZOLINE DERIVATIVE Tianjin Hemay Pharmaceutical Sci-tech Co. Ltd. (CN) 2016-10-19 EP 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-20160311796-A1 QUINAZOLINE DERIVATIVE NQO2, ABL1, HDAC6 EGFR 3950/4885SRC 3113/4885HDAC3 50/4885

“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.