Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3238911

COc1cc2ncnc(Nc3cccc(C(C)=O)c3)c2cc1OC(C)=O.Cl

nearest known ligand 0.68

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 11/20 0.68
▸ MAPK14 known ✓ Q16539 4/20 0.68
▸ KDR known ✓ P35968 5/20 0.63
▸ RET known ✓ P07949 3/20 0.63
▸ FGFR1 known ✓ P11362 1/20 0.63
▸ FLT1 known ✓ P17948 1/20 0.63
▸ SRC known ✓ P12931 4/20 0.63
▸ LCK known ✓ P06239 3/20 0.62
▸ ERBB2 known ✓ P04626 2/20 0.62
▸ ERBB4 known ✓ Q15303 1/20 0.62
▸ ABL1 known ✓ P00519 2/20 0.60
▸ GLA known ✓ P06280 1/20 0.60
▸ NOD1 Q9Y239 1/20 0.65
▸ EPHB2 P29323 2/20 0.63
▸ CDK2 P24941 1/20 0.63
▸ PIK3R1 P27986 1/20 0.63
▸ KIF5B P33176 1/20 0.63
▸ TTBK1 Q5TCY1 1/20 0.63
▸ ABCG2 Q9UNQ0 3/20 0.62
▸ ABCB1 P08183 2/20 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
SCHEMBL3238919 0.99 EGFR (0.70) EGFRMAPK14NOD1KDRRET
Hydrochloric Acid SCHEMBL5471735 0.95 EGFR (0.75) EGFRMAPK14NOD1KDRRET
SCHEMBL5485308 0.94 EGFR (0.77) EGFRMAPK14NOD1KDRRET
SCHEMBL6688859 0.87 KDR (0.67) EGFRKDRRETFLT1LCK
SCHEMBL5240218 0.87 EGFR (0.79) EGFRMAPK14NOD1KDRRET
SCHEMBL4233633 0.87 KDR (0.81) EGFRMAPK14NOD1KDRRET
SCHEMBL3239025 0.86 EGFR (0.66) EGFRMAPK14NOD1KDRRET
SCHEMBL17940152 0.85 EGFR (0.70) EGFRMAPK14NOD1KDRRET
Hydrochloric Acid SCHEMBL643709 0.85 EGFR (0.81) EGFRKDRRETFLT1CDK2
Hydrochloric Acid SCHEMBL7093945 0.84 EGFR (0.69) EGFRMAPK14MAPTERBB2ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1369418-B1 QUINAZOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2010-07-28 — — EP disclosed
US-20070265260-A1 Quinazoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-11-15 — — US disclosed
US-7294629-B2 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-11-13 — — US disclosed
US-20040116422-A1 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2004-06-17 — — US disclosed
EP-1369418-A1 QUINAZOLINE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2003-12-10 — — 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-20070265260-A1 Quinazoline derivatives TYK2, ROR1, JAK1 EGFR 1535/4885MAPK14 47/4885KDR 704/4885

“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.

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