SCHEMBL973526

SCHEMBL973526

Cc1csc(N2CCC(NC(=O)C#Cc3cc(C(F)(F)F)ccc3Cl)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.40
SYK P43405 1/20 0.37
CCNC P24863 4/20 0.37
CDK8 P49336 4/20 0.37
BTK Q06187 2/20 0.37
KMT2A Q03164 2/20 0.37
CRHR1 P34998 3/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 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
SCHEMBL973624 0.92 CNR2 (0.38) SMPD3CCNCCDK8BTKKMT2A
SCHEMBL974125 0.88 CRHR1 (0.43) SMPD3SYKCCNCCDK8BTK
SCHEMBL973987 0.86 SMPD3 (0.43) SMPD3SYKKMT2A
SCHEMBL972332 0.85 CRHR1 (0.43) SMPD3SYKCCNCCDK8BTK
SCHEMBL974382 0.85 GRM5 (0.42) SMPD3SYKCDK8KMT2AMEN1
SCHEMBL972540 0.84 USP30 (0.38) SMPD3CCNCCDK8BTKKMT2A
SCHEMBL4701765 0.81 EPHX2 (0.40) SMPD3
SCHEMBL975080 0.80 SMPD3 (0.39) SMPD3BTK
SCHEMBL971760 0.80 SMN1; SMN2 (0.39) SMPD3BTKMAPK1
SCHEMBL972602 0.80 ACKR3 (0.37) SMPD3CCNCCDK8BTK

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 SMPD3 3009/4885SYK 1729/4885CCNC 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.