Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1899508

CCN1CCN(c2ccc(Nc3nc(N)c4scc(-c5cccc(C(=O)NC)c5)c4n3)cn2)CC1.Cl

nearest known ligand 0.63

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 19)

geneUniProtsupporting neighboursconfidence
LCK known ✓ P06239 1/20 0.45
RET known ✓ P07949 1/20 0.45
CDK4 known ✓ P11802 1/20 0.45
SRC known ✓ P12931 1/20 0.45
JAK1 known ✓ P23458 1/20 0.45
KCNH2 known ✓ Q12809 1/20 0.45
SCN9A known ✓ Q15858 1/20 0.42
KDR known ✓ P35968 1/20 0.41
PTK2 Q05397 17/20 0.63
FYN P06241 1/20 0.45
FES P07332 1/20 0.45
ROS1 P08922 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
EPHB1 P54762 1/20 0.45
CSNK2A1 P68400 1/20 0.45
DDR1 Q08345 1/20 0.45
TNK2 Q07912 1/20 0.41
MAP4K2 Q12851 1/20 0.41

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
SCHEMBL1896700 0.99 PTK2 (0.64) PTK2LCKFYNFESRET
SCHEMBL1896926 0.89 PTK2 (0.52) PTK2SRCSCN9AKDR
SCHEMBL1901894 0.89 PTK2 (0.74) PTK2LCKFYNFESRET
SCHEMBL1897121 0.87 PTK2 (0.65) PTK2LCKFYNFESRET
SCHEMBL1905697 0.86 PTK2 (0.56) PTK2LCKFYNFESRET
SCHEMBL1899212 0.85 PTK2 (0.63) PTK2LCKFYNFESRET
SCHEMBL1902182 0.83 PTK2 (0.58) PTK2LCKFYNFESRET
SCHEMBL12675931 0.81 PTK2 (0.61) PTK2LCKFYNFESRET
SCHEMBL1682794 0.79 PTK2 (0.70) PTK2LCKFYNFESRET
SCHEMBL1899090 0.78 PTK2 (0.59) PTK2LCKFYNFESRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422307-B2 2,4,7-substituted thieno[3,2-d]pyrimidine compounds as protein kinase inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-08-23 US claimed
US-20130012703-A1 2,4,7-SUBSTITUTED THIENO[3,2-D]PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-01-10 US claimed
WO-2011062372-A2 2, 4, 7 -SUBSTITUTED THIENO [3, 2 -D] PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-05-26 WO claimed
US-9422307-B2 2,4,7-substituted thieno[3,2-d]pyrimidine compounds as protein kinase inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-08-23 US disclosed
US-20130012703-A1 2,4,7-SUBSTITUTED THIENO[3,2-D]PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-01-10 US disclosed
WO-2011062372-A2 2, 4, 7 -SUBSTITUTED THIENO [3, 2 -D] PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-05-26 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-20130012703-A1 2,4,7-SUBSTITUTED THIENO[3,2-D]PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS CDK2, TK1, MAP4K2 LCK 318/4885RET 284/4885CDK4 120/4885

“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.