SCHEMBL10138528

SCHEMBL10138528

CN(C)S(=O)(=O)N1CCC(OCCOc2ccc(-c3cncc4ccc(C(N)=O)nc34)cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNC P24863 11/20 0.41
CDK8 P49336 11/20 0.41
PARP1 P09874 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CYP1A2 P05177 1/20 0.33
GRM2 Q14416 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PIK3CD O00329 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 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
SCHEMBL10138476 0.92 CCNC (0.42) CCNCCDK8ALOX5APFEN1CCNT1
SCHEMBL10138521 0.89 CCNC (0.41) CCNCCDK8GRM2PIK3CD
SCHEMBL10138499 0.86 CCNC (0.43) CCNCCDK8GRM2FFAR4
SCHEMBL14823068 0.85 CCNC (0.41) CCNCCDK8GRM2FFAR4PIK3CD
SCHEMBL10138424 0.84 CCNC (0.41) CCNCCDK8ALOX5APFEN1GRM2
SCHEMBL10138449 0.83 CCNC (0.40) CCNCCDK8ALOX5APFEN1GRM2
SCHEMBL10138435 0.81 CCNC (0.41) CCNCCDK8ALOX5APFEN1GRM2
SCHEMBL10138447 0.80 CCNC (0.41) CCNCCDK8ALOX5APFEN1GRM2
SCHEMBL10138415 0.79 CCNC (0.52) CCNCCDK8ALOX5APFEN1GRM2
SCHEMBL10138452 0.79 CCNC (0.46) CCNCCDK8ALOX5APFEN1CCNT1

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 2959/4885PARP1 2140/4885

“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.