SCHEMBL10127743

SCHEMBL10127743

NC(=O)c1ccc2cncc(-c3ccc(OCCOc4ccc(C(=O)O)cc4)c(F)c3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.43
CDK8 P49336 5/20 0.43
FEN1 P39748 5/20 0.40
RARB P10826 2/20 0.38
PKM P14618 1/20 0.36
CHEK2 O96017 1/20 0.36
GRM2 Q14416 1/20 0.36
RARG P13631 1/20 0.35
SCN9A Q15858 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PIM3 Q86V86 1/20 0.35
SLC22A12 Q96S37 1/20 0.35

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
Hydrochloric Acid SCHEMBL585959 0.99 CCNC (0.43) CCNCCDK8FEN1RARBPKM
SCHEMBL10138535 0.88 CCNC (0.54) CCNCCDK8RARBPKMCHEK2
SCHEMBL578716 0.88 CCNC (0.42) CCNCCDK8FEN1CHEK2GRM2
SCHEMBL10138431 0.87 CCNC (0.41) CCNCCDK8FEN1CHEK2GRM2
SCHEMBL10138415 0.86 CCNC (0.52) CCNCCDK8FEN1GRM2
SCHEMBL10138589 0.86 CCNC (0.48) CCNCCDK8RARBCHEK2SLC22A12
SCHEMBL14823067 0.86 CCNC (0.47) CCNCCDK8GRM2
SCHEMBL578513 0.85 CCNC (0.48) CCNCCDK8FEN1GRM2
SCHEMBL10138546 0.83 CCNC (0.48) CCNCCDK8RARBPKMCHEK2
SCHEMBL10138468 0.83 CCNC (0.46) 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 6 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
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP 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 2959/4885FEN1 4319/4885

“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.