SCHEMBL973612

SCHEMBL973612

Cc1csc(N2CCC(NC(=O)C#Cc3ccc(F)cc3)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.41
ACKR3 P25106 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
BTK Q06187 2/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
FAAH O00519 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GLS O94925 2/20 0.37
GPR6 P46095 1/20 0.36
MAPK1 P28482 2/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 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
SCHEMBL4703152 0.94 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AL3MBTL1HRH3
SCHEMBL974804 0.92 SMN1; SMN2 (0.41) SMPD3ACKR3SMN1; SMN2NPC1RAB9A
SCHEMBL973545 0.90 BTK (0.45) SMPD3ACKR3HRH3BTKGLS
SCHEMBL973987 0.90 SMPD3 (0.43) SMPD3
SCHEMBL973609 0.90 SMN1; SMN2 (0.38) SMPD3ACKR3SMN1; SMN2NPC1RAB9A
SCHEMBL973224 0.89 GRM5 (0.40) SMPD3HRH3BTKFAAHDRD2
SCHEMBL971914 0.89 BTK (0.38) SMPD3ACKR3HRH3BTKGPR6
SCHEMBL971879 0.89 NAAA (0.46) SMPD3SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL975080 0.87 SMPD3 (0.39) SMPD3ACKR3SMN1; SMN2NPC1RAB9A
SCHEMBL972757 0.86 SMPD3 (0.41) SMPD3ACKR3BTKCCNE1CDK2

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 3009/4885ACKR3 2993/4885SMN1; SMN2 4756/4885

“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.