SCHEMBL10138413

SCHEMBL10138413

NC(=O)c1ccc2cncc(-c3ccc(OCCOC(=O)N4CCOCC4)cc3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 12/20 0.52
CDK8 P49336 12/20 0.52
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
FKBP1A P62942 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL10138507 0.87 CCNC (0.48) CCNCCDK8USP2ALDH1A1HPGD
SCHEMBL10138395 0.86 CCNC (0.53) CCNCCDK8ALDH1A1HRH3SMN1; SMN2
SCHEMBL10138517 0.82 CCNC (0.47) CCNCCDK8ALDH1A1HRH3
SCHEMBL578607 0.82 CCNC (0.59) CCNCCDK8TSHR
SCHEMBL578375 0.81 CCNC (0.48) CCNCCDK8
SCHEMBL10128543 0.80 CCNC (0.55) CCNCCDK8
SCHEMBL14823067 0.80 CCNC (0.47) CCNCCDK8HRH3SMN1; SMN2HRH2
SCHEMBL10138411 0.80 CCNC (0.53) CCNCCDK8TSHR
SCHEMBL578632 0.79 CCNC (0.54) CCNCCDK8TSHR
SCHEMBL10138535 0.79 CCNC (0.54) CCNCCDK8

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 2959/4885USP2 3443/4885

“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.