SCHEMBL974677

SCHEMBL974677

Cc1cnc(N2CCC(NC(=O)C#Cc3cccc(C(F)(F)F)c3)C2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
CCR2 P41597 2/20 0.39
KCNH2 Q12809 1/20 0.39
TRPV1 Q8NER1 3/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
EPHX2 P34913 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CDK8 P49336 1/20 0.38
SYK P43405 1/20 0.38
PAK1 Q13153 1/20 0.38
PHGDH O43175 2/20 0.38
KMT2A Q03164 1/20 0.38
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37

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
SCHEMBL973310 0.89 TRPV1 (0.41) TRPV1TRPM8EPHX2CA12CA1
SCHEMBL971211 0.89 CHRM5 (0.41) GRM5
SCHEMBL975864 0.88 BTK (0.38) CA12CA1CA2CA4CA7
SCHEMBL974009 0.87 RAB9A (0.39) GRM5
SCHEMBL973764 0.86 BTK (0.45) KCNH2GRM5
SCHEMBL973618 0.86 PCSK9 (0.43) PCSK9EPHX2CDK8SYKPHGDH
SCHEMBL973492 0.85 MTNR1A (0.44) CDK8GRM5
SCHEMBL972332 0.85 CRHR1 (0.43) TRPV1TRPM8CA12CA1CA2
SCHEMBL974382 0.84 GRM5 (0.42) PCSK9EPHX2CDK8SYKPHGDH
SCHEMBL974422 0.84 BTK (0.38) KCNH2CDK8

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 RPS6KB1 3610/4885PCSK9 440/4885CCR2 2698/4885

“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.