SCHEMBL973017

SCHEMBL973017

COc1ccc(C#CC(=O)NC2CCN(c3ncc(C)s3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
GLS O94925 5/20 0.39
TMPRSS15 P98073 2/20 0.39
KMT2A Q03164 2/20 0.39
SMPD3 Q9NY59 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
BTK Q06187 1/20 0.38
PAK1 Q13153 1/20 0.37
HPGDS O60760 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
RAB9A P51151 1/20 0.36
NLRP3 Q96P20 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
SCHEMBL974821 0.90 HRH3 (0.38) NAAASMPD3HRH3BTKPAK1
SCHEMBL973492 0.89 MTNR1A (0.44) CCNCCDK8GLSMTNR1AMTNR1B
SCHEMBL974669 0.89 HRH3 (0.39) GLSSMPD3HRH3BTK
SCHEMBL973764 0.88 BTK (0.45) GLSTMPRSS15HRH3BTK
SCHEMBL973812 0.87 HRH3 (0.38) TMPRSS15SMPD3HRH3BTK
SCHEMBL973310 0.86 TRPV1 (0.41) KMT2ASMPD3PAK1
SCHEMBL973973 0.85 NAAA (0.46) NAAACCNCCDK8GLSKMT2A
SCHEMBL974422 0.84 BTK (0.38) CCNCCDK8HRH3BTK
SCHEMBL974706 0.83 BTK (0.38) SMPD3HRH3BTKNPC1RAB9A
SCHEMBL973568 0.83 CA12 (0.42) KMT2ASMPD3HRH3NPC1RAB9A

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 2631/4885CCNC 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.