SCHEMBL10138383

SCHEMBL10138383

CC(C)OCCOc1ccc(-c2cncc3ccc(C(N)=O)nc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNC P24863 14/20 0.54
CDK8 P49336 14/20 0.54
CYP2C9 P11712 1/20 0.39
CHEK2 O96017 1/20 0.39
SLC22A12 Q96S37 2/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
APP P05067 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
SCHEMBL578607 0.88 CCNC (0.59) CCNCCDK8CHEK2LMNATSHR
SCHEMBL10128543 0.86 CCNC (0.55) CCNCCDK8CHEK2
SCHEMBL10138393 0.85 CCNC (0.54) CCNCCDK8CHEK2APP
SCHEMBL10138390 0.85 CCNC (0.56) CCNCCDK8SLC22A12LMNAAPP
SCHEMBL578632 0.85 CCNC (0.54) CCNCCDK8CHEK2LMNATSHR
SCHEMBL10138535 0.85 CCNC (0.54) CCNCCDK8CHEK2SLC22A12
SCHEMBL15742721 0.84 CCNC (0.61) CCNCCDK8SLC22A12
SCHEMBL10138543 0.84 CCNC (0.53) CCNCCDK8CHEK2LMNA
SCHEMBL10138411 0.83 CCNC (0.53) CCNCCDK8CHEK2LMNATSHR
SCHEMBL10138405 0.83 CCNC (0.53) CCNCCDK8CHEK2TSHRMAPK1

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 2959/4885CYP2C9 4827/4885

“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.