SCHEMBL974236

SCHEMBL974236

Cc1cnc(N2CCC(NC(=O)C#Cc3ccc(F)cc3F)C2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.38
USP30 Q70CQ3 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA4 P22748 4/20 0.37
CA7 P43166 4/20 0.37
CA9 Q16790 4/20 0.37
PAK1 Q13153 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMPD3 Q9NY59 1/20 0.35
GLS O94925 2/20 0.35
ACKR3 P25106 1/20 0.35
CHRM4 P08173 1/20 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

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
SCHEMBL975872 0.89 CA12 (0.41) BTKHRH3CA12CA1CA2
SCHEMBL974669 0.87 HRH3 (0.39) BTKHRH3CA12CA1CA2
SCHEMBL972307 0.85 SMPD3 (0.39) BTKUSP30L3MBTL1SMPD3ACKR3
SCHEMBL971211 0.85 CHRM5 (0.41) BTK
SCHEMBL974706 0.84 BTK (0.38) BTKHRH3CA12CA1CA2
SCHEMBL974320 0.84 GRM2 (0.39) BTKUSP30HRH3SMPD3ACKR3
SCHEMBL975080 0.84 SMPD3 (0.39) BTKHRH3L3MBTL1SMPD3ACKR3
SCHEMBL973571 0.83 HRH3 (0.37) BTKHRH3CA12CA1CA2
SCHEMBL973568 0.82 CA12 (0.42) HRH3CA12CA1CA2CA4
SCHEMBL974821 0.81 HRH3 (0.38) BTKHRH3PAK1SMPD3ACKR3

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 1605/4885USP30 4362/4885HRH3 2654/4885

“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.