SCHEMBL973016

SCHEMBL973016

Cc1nc(N2CCC(NC(=O)C#Cc3ccc(Cl)cc3Cl)C2)sc1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
BTK Q06187 3/20 0.35
HRH4 Q9H3N8 5/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
PPARA Q07869 5/20 0.35
PPARD Q03181 2/20 0.35
PPARG P37231 1/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
SMPD3 Q9NY59 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL972540 0.87 USP30 (0.38) USP30CCNCCDK8BTKGRM2
SCHEMBL973419 0.85 PPARA (0.39) CCNCCDK8BTKPPARAPPARD
SCHEMBL974320 0.85 GRM2 (0.39) USP30CCNCCDK8BTKGRM2
SCHEMBL972307 0.84 SMPD3 (0.39) USP30BTKHRH4PPARAPPARD
SCHEMBL974125 0.84 CRHR1 (0.43) CCNCCDK8BTKHRH4SMPD3
SCHEMBL973431 0.83 USP30 (0.36) USP30HRH4GRM2GRM3UBE2M
SCHEMBL974372 0.83 SMPD3 (0.36) BTKPPARAPPARDSMPD3
SCHEMBL974402 0.81 BTK (0.37) BTKSMPD3CHRM4
SCHEMBL973992 0.81 BTK (0.45) CCNCCDK8BTKPPARAPPARD
SCHEMBL974290 0.81 BTK (0.38) BTKPPARAPPARDPPARGSMPD3

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 USP30 4362/4885CCNC 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.