SCHEMBL10138457

SCHEMBL10138457

CS(=O)(=O)NCCOCCOc1ccc(-c2cncc3ccc(C(N)=O)nc23)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 11/20 0.43
CDK8 P49336 11/20 0.43
ROCK2 O75116 2/20 0.39
MAP4K4 O95819 2/20 0.39
PIM1 P11309 2/20 0.39
PRKACA P17612 2/20 0.39
CDK2 P24941 2/20 0.39
GSK3B P49841 2/20 0.39
HIPK2 Q9H2X6 2/20 0.39
DYRK3 O43781 1/20 0.39
PRKD3 O94806 1/20 0.39
CDK1 P06493 1/20 0.39
ROS1 P08922 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AKT1 P31749 1/20 0.39
CLK2 P49760 1/20 0.39
IRAK1 P51617 1/20 0.39
RPS6KA3 P51812 1/20 0.39
PRKX P51817 1/20 0.39
CDK5 Q00535 1/20 0.39

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
SCHEMBL578513 0.86 CCNC (0.48) CCNCCDK8GRM2ALOX5APFEN1
SCHEMBL10138415 0.84 CCNC (0.52) CCNCCDK8GRM2ALOX5APFEN1
SCHEMBL10138468 0.83 CCNC (0.46) CCNCCDK8GRM2
SCHEMBL10138499 0.82 CCNC (0.43) CCNCCDK8GRM2SCN9A
SCHEMBL10138452 0.80 CCNC (0.46) CCNCCDK8ALOX5APFEN1
SCHEMBL10138476 0.80 CCNC (0.42) CCNCCDK8CDK2CDK1ALOX5AP
SCHEMBL10127743 0.79 CCNC (0.43) CCNCCDK8GRM2SCN9AFEN1
SCHEMBL10138449 0.79 CCNC (0.40) CCNCCDK8GRM2ALOX5APFEN1
Hydrochloric Acid SCHEMBL585959 0.78 CCNC (0.43) CCNCCDK8GRM2SCN9AFEN1
SCHEMBL10138427 0.77 CCNC (0.42) CCNCCDK8GRM2

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 2959/4885ROCK2 891/4885

“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.