SCHEMBL974706

SCHEMBL974706

Cc1cnc(N2CCC(NC(=O)C#Cc3ccc(C)c(F)c3)C2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.38
HRH3 Q9Y5N1 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
EGFR P00533 1/20 0.34
TEC P42680 1/20 0.34
TXK P42681 1/20 0.34
BMX P51813 1/20 0.34
JAK3 P52333 1/20 0.34
ITK Q08881 1/20 0.34
KCNH2 Q12809 1/20 0.34
ERBB4 Q15303 1/20 0.34
CHRNA7 P36544 2/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
SMPD3 Q9NY59 2/20 0.34

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
SCHEMBL974669 0.89 HRH3 (0.39) BTKHRH3CA12CA1CA2
SCHEMBL971211 0.87 CHRM5 (0.41) BTK
SCHEMBL974821 0.87 HRH3 (0.38) BTKHRH3CHRNA7PIK3CAMTOR
SCHEMBL973959 0.85 BTK (0.38) BTKEGFRTECTXKBMX
SCHEMBL975864 0.85 BTK (0.38) BTKHRH3CA12CA1CA2
SCHEMBL973764 0.85 BTK (0.45) BTKHRH3KCNH2CHRNA7DPP4
SCHEMBL973310 0.84 TRPV1 (0.41) CA12CA1CA2CA4CA7
SCHEMBL973812 0.84 HRH3 (0.38) BTKHRH3CHRNA7PIK3CAMTOR
SCHEMBL974009 0.84 RAB9A (0.39) BTKHRH3RAB9A
SCHEMBL971914 0.84 BTK (0.38) BTKHRH3EGFRTECTXK

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 BTK 1605/4885HRH3 2654/4885CA12 3140/4885

“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.