Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6184675

Cc1cc2ncnc(N3CCCc4ccc(C(F)(F)F)cc43)c2cc1C.Cl

nearest known ligand 0.43

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 7/20 0.43
CSF1R known ✓ P07333 1/20 0.43
RET known ✓ P07949 2/20 0.42
KDR known ✓ P35968 2/20 0.42
PDGFRB known ✓ P09619 1/20 0.42
KIT known ✓ P10721 2/20 0.38
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42

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
SCHEMBL27437655 0.99 RET (0.43) EGFRCSF1RRETKDRTUBB4A
SCHEMBL4719670 0.85 EGFR (0.61) EGFRCSF1RRETKDRTUBB4A
SCHEMBL7119066 0.77 EGFR (0.43) EGFRCSF1RRETKDRTUBB4A
SCHEMBL7128739 0.75 EGFR (0.49) EGFRKDRTUBB4ATUBBPDGFRB
SCHEMBL8646399 0.75 EGFR (0.52) EGFRCSF1RRETKDRRAB9A
SCHEMBL6491751 0.70 JUN (0.37) CSF1RRETKDRPDGFRBALDH1A1
SCHEMBL5461541 0.69 EGFR (0.64) EGFRCSF1RRETKDRTUBB4A
Hydrochloric Acid SCHEMBL6180077 0.68 EGFR (0.87) EGFRCSF1RRETKDRTUBB4A
SCHEMBL11988645 0.68 NOTUM (0.42) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL4719788 0.67 EGFR (0.87) EGFRCSF1RRETKDRTUBB4A

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 13 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
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 628/4885CSF1R 1/4885RET 124/4885

“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.