SCHEMBL10138397

SCHEMBL10138397

NC(=O)c1ccc2cncc(-c3ccc(OCCOCC4CCOC4)cc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNC P24863 8/20 0.45
CDK8 P49336 8/20 0.45
XDH P47989 1/20 0.40
CHEK1 O14757 1/20 0.38
MCHR1 Q99705 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
PRKCZ Q05513 2/20 0.34
GRM4 Q14833 3/20 0.34
GRM5 P41594 1/20 0.34
FPR2 P25090 1/20 0.34
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
SCHEMBL578375 0.83 CCNC (0.48) CCNCCDK8
SCHEMBL578632 0.82 CCNC (0.54) CCNCCDK8
SCHEMBL578607 0.80 CCNC (0.59) CCNCCDK8
SCHEMBL10138393 0.80 CCNC (0.54) CCNCCDK8CHEK1
SCHEMBL10128543 0.79 CCNC (0.55) CCNCCDK8SCN9A
SCHEMBL10138535 0.78 CCNC (0.54) CCNCCDK8CHEK1
SCHEMBL10138395 0.77 CCNC (0.53) CCNCCDK8
SCHEMBL10138422 0.77 CCNC (0.51) CCNCCDK8
SCHEMBL10128508 0.77 CCNC (0.48) CCNCCDK8PRKCZ
SCHEMBL10138413 0.76 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 2959/4885XDH 3570/4885

“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.