SCHEMBL10138432

SCHEMBL10138432

NC(=O)c1ccc2cncc(-c3ccc(OCCO[C@@H]4COC[C@H]4O)c(F)c3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNC P24863 10/20 0.40
CDK8 P49336 10/20 0.40
GRM2 Q14416 2/20 0.34
FFAR4 Q5NUL3 2/20 0.33
BTK Q06187 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL10138424 0.85 CCNC (0.41) CCNCCDK8GRM2FFAR4ALOX5AP
SCHEMBL10138499 0.84 CCNC (0.43) CCNCCDK8GRM2FFAR4
SCHEMBL10138449 0.83 CCNC (0.40) CCNCCDK8GRM2FFAR4ALOX5AP
SCHEMBL10138415 0.83 CCNC (0.52) CCNCCDK8GRM2ALOX5APFEN1
SCHEMBL578513 0.81 CCNC (0.48) CCNCCDK8GRM2ALOX5APFEN1
SCHEMBL10138447 0.81 CCNC (0.41) CCNCCDK8GRM2FFAR4ALOX5AP
SCHEMBL578454 0.80 L3MBTL1 (0.41) CCNCCDK8GRM2FFAR4
SCHEMBL10138450 0.79 CCNC (0.47) CCNCCDK8GRM2ALOX5APFEN1
SCHEMBL10138468 0.79 CCNC (0.46) CCNCCDK8GRM2FFAR4
SCHEMBL10138435 0.79 CCNC (0.41) CCNCCDK8GRM2ALOX5APFEN1

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 4 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

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 2959/4885GRM2 1396/4885

“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.