SCHEMBL974320

SCHEMBL974320

Cc1cnc(N2CCC(NC(=O)C#Cc3ccc(Cl)cc3Cl)C2)s1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.39
GRM3 Q14832 2/20 0.39
USP30 Q70CQ3 1/20 0.38
HMOX1 P09601 1/20 0.36
SMO Q99835 2/20 0.35
BTK Q06187 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ACKR3 P25106 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CHRNA7 P36544 2/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
SMPD3 Q9NY59 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
SCHEMBL973016 0.85 USP30 (0.38) GRM2GRM3USP30BTKCCNC
SCHEMBL974009 0.85 RAB9A (0.39) HMOX1BTKHRH3
SCHEMBL973006 0.85 HRH3 (0.37) HRH3CHRNA7SMPD3
SCHEMBL972540 0.84 USP30 (0.38) GRM2GRM3USP30HMOX1BTK
SCHEMBL974236 0.84 BTK (0.38) USP30BTKHRH3ACKR3SMPD3
SCHEMBL972332 0.84 CRHR1 (0.43) SMOBTKCCNCCDK8SMPD3
SCHEMBL973571 0.83 HRH3 (0.37) SMOBTKHRH3ACKR3CHRNA7
SCHEMBL975872 0.81 CA12 (0.41) BTKHRH3ACKR3CHRNA7
SCHEMBL974821 0.81 HRH3 (0.38) BTKHRH3ACKR3CHRNA7SMPD3
SCHEMBL973764 0.81 BTK (0.45) BTKHRH3ACKR3CHRNA7

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 GRM2 2402/4885GRM3 2055/4885USP30 4362/4885

“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.