SCHEMBL10138554

SCHEMBL10138554

CNC(=O)c1ccc2cncc(-c3ccc(Cl)cc3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 8/20 0.68
CDK8 P49336 8/20 0.68
SLC22A12 Q96S37 2/20 0.51
CHEK2 O96017 1/20 0.45
RPS6KA3 P51812 1/20 0.44
SERPINE1 P05121 1/20 0.43
NR4A2 P43354 1/20 0.42
MAP4K4 O95819 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41

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
SCHEMBL16211724 0.86 CCNC (0.53) CCNCCDK8SLC22A12ALDH1A1
SCHEMBL16212140 0.86 CCNC (0.53) CCNCCDK8SLC22A12SERPINE1MAP4K4
SCHEMBL10138555 0.86 CCNC (0.53) CCNCCDK8SLC22A12SERPINE1
SCHEMBL18731277 0.84 CCNC (0.51) CCNCCDK8SLC22A12SERPINE1MAP4K4
SCHEMBL16211927 0.84 SLC22A12 (0.70) CCNCCDK8SLC22A12CHEK2MAP4K4
SCHEMBL16222216 0.83 CCNC (0.50) CCNCCDK8SLC22A12SERPINE1
SCHEMBL16211756 0.83 CCNC (0.50) CCNCCDK8SLC22A12SERPINE1RAB9A
SCHEMBL16212502 0.83 SLC22A12 (0.51) CCNCCDK8SLC22A12SERPINE1MAP4K4
SCHEMBL16211915 0.83 CCNC (0.70) CCNCCDK8SLC22A12KDR
SCHEMBL16212336 0.83 MMP9 (0.51) CCNCCDK8SLC22A12SERPINE1MAP4K4

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 2959/4885SLC22A12 1300/4885

“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.