SCHEMBL578705

SCHEMBL578705

CN(C=O)c1ccc(-c2cncc3ccc(C(N)=O)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.47
CCNC P24863 8/20 0.44
CDK8 P49336 8/20 0.44
AR P10275 1/20 0.40
MAP2K7 O14733 1/20 0.38
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
CHEK2 O96017 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
SCHEMBL10138302 0.88 SLC22A12 (0.51) SLC22A12CCNCCDK8ARMAP2K7
SCHEMBL14806656 0.85 SLC22A12 (0.51) SLC22A12CCNCCDK8ARMAP2K7
SCHEMBL10138316 0.83 SLC22A12 (0.51) SLC22A12CCNCCDK8ARMKNK1
SCHEMBL10138336 0.81 SLC22A12 (0.54) SLC22A12CCNCCDK8ARMKNK1
SCHEMBL10138319 0.81 SLC22A12 (0.54) SLC22A12CCNCCDK8ARMKNK1
SCHEMBL578479 0.80 SLC22A12 (0.55) SLC22A12CCNCCDK8ARMKNK1
SCHEMBL578341 0.79 MAP4K4 (0.58) SLC22A12CCNCCDK8ARMKNK1
SCHEMBL578353 0.79 CHEK2 (0.55) SLC22A12CCNCCDK8ARMKNK1
SCHEMBL578458 0.79 SLC22A12 (0.45) SLC22A12CCNCCDK8AR
SCHEMBL578459 0.79 SLC22A12 (0.45) SLC22A12CCNCCDK8AR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 EP disclosed
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-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
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP 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 SLC22A12 1300/4885CCNC 1592/4885CDK8 2959/4885

“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.