SCHEMBL972939

SCHEMBL972939

Cc1cccc(C#CC(=O)NC2CCN(c3nc(C)c(C)s3)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 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
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 0.36
SMPD3 Q9NY59 6/20 0.36
GRM5 P41594 6/20 0.36
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
GLS O94925 1/20 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
SCHEMBL973419 0.91 PPARA (0.39) BTKCCNCCDK8DRD2HTR2A
SCHEMBL973992 0.90 BTK (0.45) BTKCCNCCDK8DRD2HTR2A
SCHEMBL973969 0.89 MTNR1A (0.44) CCNCCDK8SMPD3GRM5PPARD
SCHEMBL973618 0.88 PCSK9 (0.43) CDK8SMPD3GRM5
SCHEMBL974290 0.88 BTK (0.38) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL973019 0.87 BTK (0.38) BTKCCNCCDK8DRD2HTR2A
SCHEMBL2858043 0.86 CCNE1 (0.40) BTKCCNE1CDK2PPARGPPARD
SCHEMBL973959 0.85 BTK (0.38) BTKCCNCCDK8SMPD3
SCHEMBL975864 0.85 BTK (0.38) BTKCCNCCDK8DRD2HTR2A
SCHEMBL972757 0.85 SMPD3 (0.41) BTKDRD2HTR2AHTR2CHTR2B

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 1605/4885CCNC 3890/4885CDK8 3526/4885

“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.