SCHEMBL974422

SCHEMBL974422

Cc1cnc(N2CCC(NC(=O)C#Cc3cccnc3)C2)s1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NSD2 O96028 2/20 0.36
ACKR3 P25106 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP46A1 Q9Y6A2 2/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
SIGLEC9 Q9Y336 1/20 0.36
CHRNA7 P36544 2/20 0.35
DPP4 P27487 1/20 0.35
CHRM4 P08173 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35

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 0.91 BTK (0.45) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL973812 0.90 HRH3 (0.38) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL975864 0.88 BTK (0.38) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL974821 0.87 HRH3 (0.38) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL974009 0.86 RAB9A (0.39) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL971211 0.86 CHRM5 (0.41) BTK
SCHEMBL974669 0.85 HRH3 (0.39) BTKDRD2HTR2AHTR2CHTR2B
SCHEMBL972148 0.85 GRM5 (0.39) BTKHRH3NSD2ACKR3CHRNA7
SCHEMBL973492 0.84 MTNR1A (0.44) CCNCCDK8
SCHEMBL973017 0.84 NAAA (0.46) BTKHRH3CCNCCDK8

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.