SCHEMBL973992

SCHEMBL973992

Cc1nc(N2CCC(NC(=O)C#Cc3ccccc3)C2)sc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
SMPD3 Q9NY59 2/20 0.39
GLS O94925 3/20 0.37
DRD4 P21917 1/20 0.37
SCD5 Q86SK9 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GRM5 P41594 2/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
AKT1 P31749 1/20 0.36
PKM P14618 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
SCHEMBL974290 0.92 BTK (0.38) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL972939 0.90 BTK (0.38) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL972757 0.90 SMPD3 (0.41) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL973419 0.89 PPARA (0.39) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL973973 0.88 NAAA (0.46) SMPD3GLSNPC1RAB9APPARD
SCHEMBL974372 0.88 SMPD3 (0.36) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL972550 0.88 SMPD3 (0.43) BTKSMPD3
SCHEMBL973969 0.87 MTNR1A (0.44) SMPD3GLSGRM5PPARDPPARA
SCHEMBL974402 0.86 BTK (0.37) BTKSMPD3DRD4NPC1RAB9A
SCHEMBL973618 0.86 PCSK9 (0.43) SMPD3GRM5CDK8

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 1605/4885DRD2 2020/4885HTR2A 1261/4885

“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.