SCHEMBL971760

SCHEMBL971760

Cc1csc(N2CCC(NC(=O)C#Cc3ccccc3F)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
GRM5 P41594 1/20 0.38
FAAH O00519 1/20 0.37
BTK Q06187 6/20 0.37
HRH3 Q9Y5N1 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
SMPD3 Q9NY59 2/20 0.35
ACKR3 P25106 2/20 0.35

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
SCHEMBL4701477 0.94 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1MAPK1
SCHEMBL972810 0.90 ACKR3 (0.38) ALDH1A1GRM5BTKHRH3SMPD3
SCHEMBL973921 0.90 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AALDH1A1MAPK1
SCHEMBL975080 0.89 SMPD3 (0.39) SMN1; SMN2NPC1RAB9AFAAHBTK
SCHEMBL972950 0.87 GRM5 (0.40) GRM5HRH3CA12CA1CA2
SCHEMBL974402 0.87 BTK (0.37) NPC1RAB9AGRM5BTKCA12
SCHEMBL973545 0.86 BTK (0.45) GRM5BTKHRH3SMPD3ACKR3
SCHEMBL973612 0.85 SMPD3 (0.41) SMN1; SMN2NPC1RAB9AMAPK1GRM5
SCHEMBL4704099 0.84 HRH3 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1GRM5
SCHEMBL973224 0.83 GRM5 (0.40) GRM5FAAHBTKHRH3SMPD3

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 SMN1; SMN2 4756/4885NPC1 871/4885RAB9A 4530/4885

“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.