SCHEMBL10138405

SCHEMBL10138405

CN(C)C(=O)c1ccc(OCCOc2ccc(-c3cncc4ccc(C(N)=O)nc34)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 9/20 0.53
CDK8 P49336 9/20 0.53
CYP1A2 P05177 6/20 0.43
CYP3A4 P08684 6/20 0.43
TDP1 Q9NUW8 1/20 0.43
LRRK2 Q5S007 1/20 0.43
TBXAS1 P24557 1/20 0.42
HSD17B10 Q99714 4/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
CHEK2 O96017 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP2D6 P10635 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
CLK4 Q9HAZ1 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
SCHEMBL10138411 0.88 CCNC (0.53) CCNCCDK8CHEK2TSHRMAPK1
SCHEMBL10138535 0.87 CCNC (0.54) CCNCCDK8CHEK2
SCHEMBL10138543 0.87 CCNC (0.53) CCNCCDK8TDP1ALDH1A1KDM4E
SCHEMBL10138422 0.86 CCNC (0.51) CCNCCDK8HSD17B10ALDH1A1KDM4E
SCHEMBL578607 0.86 CCNC (0.59) CCNCCDK8CHEK2TSHRMAPK1
SCHEMBL10128543 0.84 CCNC (0.55) CCNCCDK8CHEK2
SCHEMBL10138393 0.83 CCNC (0.54) CCNCCDK8CHEK2
SCHEMBL10138383 0.83 CCNC (0.54) CCNCCDK8CHEK2TSHRMAPK1
SCHEMBL578632 0.83 CCNC (0.54) CCNCCDK8CHEK2TSHRMAPK1
SCHEMBL10138546 0.82 CCNC (0.48) CCNCCDK8CHEK2

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 2959/4885CYP1A2 4723/4885

“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.