SCHEMBL975864

SCHEMBL975864

Cc1cccc(C#CC(=O)NC2CCN(c3ncc(C)s3)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 0.36
ACKR3 P25106 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
GRM5 P41594 4/20 0.36
SMPD3 Q9NY59 1/20 0.35
CHRNA7 P36544 2/20 0.35
GLS O94925 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35

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
SCHEMBL971211 0.91 CHRM5 (0.41) BTKGRM5
SCHEMBL974009 0.91 RAB9A (0.39) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL973764 0.90 BTK (0.45) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL973492 0.89 MTNR1A (0.44) CCNCCDK8GRM5GLS
SCHEMBL974677 0.88 RPS6KB1 (0.40) CDK8GRM5CA12CA1CA2
SCHEMBL974821 0.88 HRH3 (0.38) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL974422 0.88 BTK (0.38) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL2862996 0.86 CCNE1 (0.38) BTKHRH3ACKR3CHRNA7
SCHEMBL973812 0.85 HRH3 (0.38) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL974706 0.85 BTK (0.38) BTKHRH3SMPD3CHRNA7CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US claimed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US claimed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO claimed
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 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-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 BTK 1605/4885DRD2 2020/4885HTR2A 1261/4885

“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.