SCHEMBL10138400

SCHEMBL10138400

CC(=O)NCCOCCOc1ccc(-c2cncc3ccc(C(N)=O)nc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 13/20 0.50
CDK8 P49336 13/20 0.50
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NCF1 P14598 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 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
SCHEMBL10138393 0.87 CCNC (0.54) CCNCCDK8
SCHEMBL578632 0.87 CCNC (0.54) CCNCCDK8TSHRMAPK1
SCHEMBL578607 0.83 CCNC (0.59) CCNCCDK8TSHRMAPK1
SCHEMBL10138543 0.82 CCNC (0.53) CCNCCDK8ALDH1A1
SCHEMBL10138422 0.82 CCNC (0.51) CCNCCDK8TSHRMAPK1HSD17B10
SCHEMBL10128543 0.81 CCNC (0.55) CCNCCDK8
SCHEMBL10138383 0.81 CCNC (0.54) CCNCCDK8TSHRMAPK1
SCHEMBL10138535 0.81 CCNC (0.54) CCNCCDK8
SCHEMBL10138411 0.79 CCNC (0.53) CCNCCDK8TSHRMAPK1
SCHEMBL10138405 0.79 CCNC (0.53) CCNCCDK8ALOX15TSHRMAPK1

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 2959/4885MTNR1A 811/4885

“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.