SCHEMBL973973

SCHEMBL973973

COc1ccc(C#CC(=O)NC2CCN(c3nc(C)c(C)s3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
SMPD3 Q9NY59 2/20 0.42
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42
GLS O94925 3/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
CHRM4 P08173 1/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
NLRP3 Q96P20 1/20 0.36
GRM3 Q14832 1/20 0.36

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
SCHEMBL974290 0.90 BTK (0.38) NAAASMPD3PPARDPPARARAB9A
SCHEMBL973969 0.89 MTNR1A (0.44) SMPD3CCNCCDK8GLSPPARD
SCHEMBL972757 0.89 SMPD3 (0.41) SMPD3GLSPPARDPPARACCNE1
SCHEMBL973992 0.88 BTK (0.45) SMPD3CCNCCDK8GLSPPARD
SCHEMBL971879 0.87 NAAA (0.46) NAAASMPD3CCNCCDK8GLS
SCHEMBL972550 0.86 SMPD3 (0.43) SMPD3KMT2A
SCHEMBL973017 0.85 NAAA (0.46) NAAASMPD3CCNCCDK8GLS
SCHEMBL972442 0.83 CA12 (0.39) SMPD3RAB9ANPC1
SCHEMBL973959 0.83 BTK (0.38) SMPD3CCNCCDK8RAB9A
SCHEMBL972939 0.83 BTK (0.38) SMPD3CCNCCDK8GLSPPARD

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 NAAA 2631/4885SMPD3 3009/4885CCNC 3890/4885

“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.