SCHEMBL10138517

SCHEMBL10138517

NC(=O)c1ccc2cncc(-c3ccc(OCCCS(=O)(=O)N4CCOCC4)cc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNC P24863 12/20 0.47
CDK8 P49336 12/20 0.47
ALDH1A1 P00352 1/20 0.43
HRH3 Q9Y5N1 3/20 0.35
TBK1 Q9UHD2 1/20 0.35
LMNA P02545 1/20 0.35
SCN9A Q15858 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
SCHEMBL10138523 0.89 CCNC (0.46) CCNCCDK8ALDH1A1HRH3
SCHEMBL10138453 0.87 CCNC (0.41) CCNCCDK8ALDH1A1SCN9A
SCHEMBL10138530 0.84 ALDH1A1 (0.42) CCNCCDK8ALDH1A1HRH3
SCHEMBL10138395 0.84 CCNC (0.53) CCNCCDK8ALDH1A1HRH3TBK1
SCHEMBL10138413 0.82 CCNC (0.52) CCNCCDK8ALDH1A1HRH3
SCHEMBL578607 0.80 CCNC (0.59) CCNCCDK8LMNA
SCHEMBL10138507 0.78 CCNC (0.48) CCNCCDK8ALDH1A1HRH3
SCHEMBL578375 0.78 CCNC (0.48) CCNCCDK8
SCHEMBL10138535 0.78 CCNC (0.54) CCNCCDK8
SCHEMBL10138514 0.78 CCNC (0.52) CCNCCDK8

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 5 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
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 2959/4885ALDH1A1 2092/4885

“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.