SCHEMBL10128543

SCHEMBL10128543

NC(=O)c1ccc2cncc(-c3ccc(OCCOc4ccc(Cl)cc4)cc3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNC P24863 11/20 0.55
CDK8 P49336 11/20 0.55
CHEK2 O96017 2/20 0.42
MAP4K4 O95819 3/20 0.40
SCN9A Q15858 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL578607 0.91 CCNC (0.59) CCNCCDK8CHEK2
SCHEMBL15742865 0.89 CCNC (0.65) CCNCCDK8CHEK2MAP4K4GRM2
SCHEMBL578632 0.88 CCNC (0.54) CCNCCDK8CHEK2L3MBTL1
SCHEMBL10138535 0.88 CCNC (0.54) CCNCCDK8CHEK2
SCHEMBL10138393 0.86 CCNC (0.54) CCNCCDK8CHEK2
SCHEMBL10138383 0.86 CCNC (0.54) CCNCCDK8CHEK2
SCHEMBL10138543 0.85 CCNC (0.53) CCNCCDK8CHEK2MAPTL3MBTL1
SCHEMBL10138411 0.84 CCNC (0.53) CCNCCDK8CHEK2
SCHEMBL10138405 0.84 CCNC (0.53) CCNCCDK8CHEK2
SCHEMBL10138546 0.82 CCNC (0.48) CCNCCDK8CHEK2MAPTL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP disclosed
WO-2010116915-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP 第一三共株式会社 (JP) 2010-10-14 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 CCNC 1592/4885CDK8 2959/4885CHEK2 3070/4885

“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.