SCHEMBL971256

SCHEMBL971256

Cc1cnc(N2CCC(NC(=O)C#Cc3cccs3)C2)s1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CHRNA7 P36544 2/20 0.35
BTK Q06187 3/20 0.35
DPP4 P27487 1/20 0.35
ACKR3 P25106 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
NSD2 O96028 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL973764 0.85 BTK (0.45) HRH3CHRNA7BTKDPP4ACKR3
SCHEMBL973986 0.85 SMPD3 (0.41) SMPD3BTKDPP4NPC1RAB9A
SCHEMBL973812 0.84 HRH3 (0.38) SMPD3HRH3CHRNA7BTKDPP4
SCHEMBL973571 0.83 HRH3 (0.37) SMPD3HRH3CHRNA7BTKDPP4
SCHEMBL971906 0.83 SMPD3 (0.41) SMPD3HRH3BTKDPP4ACKR3
SCHEMBL974821 0.83 HRH3 (0.38) SMPD3HRH3CHRNA7BTKDPP4
SCHEMBL974422 0.83 BTK (0.38) HRH3CHRNA7BTKDPP4ACKR3
SCHEMBL972148 0.83 GRM5 (0.39) HRH3CHRNA7BTKACKR3CA12
SCHEMBL975872 0.82 CA12 (0.41) HRH3CHRNA7BTKDPP4ACKR3
SCHEMBL975864 0.82 BTK (0.38) SMPD3HRH3CHRNA7BTKACKR3

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 3009/4885HRH3 2654/4885CHRNA7 4652/4885

“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.