SCHEMBL10138290

SCHEMBL10138290

CN(C)c1ccc(-c2cncc3ccc(C(N)=O)nc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 14/20 0.65
CDK8 P49336 14/20 0.65
PARP1 P09874 2/20 0.40
SLC22A12 Q96S37 1/20 0.40
PIM1 P11309 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
CYP2C19 P33261 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL15742747 0.85 CCNC (0.69) CCNCCDK8PARP1PIM1
SCHEMBL578403 0.83 CCNC (0.67) CCNCCDK8PIM1
SCHEMBL15747607 0.83 CCNC (0.60) CCNCCDK8PIM1
SCHEMBL15742865 0.82 CCNC (0.65) CCNCCDK8PIM1
SCHEMBL15747590 0.82 CCNC (0.65) CCNCCDK8PIM1CLK4
SCHEMBL4580346 0.82 CCNC (0.64) CCNCCDK8PARP1PIM1ALDH1A1
SCHEMBL28024783 0.82 CCNC (0.65) CCNCCDK8PIM1
SCHEMBL15742774 0.82 CCNC (0.65) CCNCCDK8PARP1ALDH1A1
SCHEMBL15743039 0.81 CCNC (0.63) CCNCCDK8SLC22A12PIM1
SCHEMBL15742996 0.80 CCNC (0.62) CCNCCDK8SLC22A12PIM1

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.