SCHEMBL578725

SCHEMBL578725

CNc1ccc(-c2cncc3ccc(C(N)=O)cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.53
CDK8 P49336 5/20 0.53
SLC22A12 Q96S37 4/20 0.51
MMP9 P14780 1/20 0.44
AR P10275 1/20 0.43
APP P05067 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
NNMT P40261 1/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
CYP3A4 P08684 1/20 0.40
ROCK2 O75116 1/20 0.40
NAMPT P43490 1/20 0.40
CHEK2 O96017 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40

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
SCHEMBL10138336 0.85 SLC22A12 (0.54) CCNCCDK8SLC22A12ARMKNK1
SCHEMBL10138319 0.85 SLC22A12 (0.54) CCNCCDK8SLC22A12ARMKNK1
SCHEMBL10138348 0.85 SLC22A12 (0.51) CCNCCDK8SLC22A12ARPLAU
SCHEMBL578479 0.84 SLC22A12 (0.55) CCNCCDK8SLC22A12ARMKNK1
SCHEMBL578341 0.83 MAP4K4 (0.58) CCNCCDK8SLC22A12ARMKNK1
SCHEMBL578353 0.83 CHEK2 (0.55) CCNCCDK8SLC22A12ARMKNK1
SCHEMBL10138302 0.82 SLC22A12 (0.51) CCNCCDK8SLC22A12ARMKNK1
SCHEMBL578333 0.82 MAP4K4 (0.61) CCNCCDK8SLC22A12PLAUPLAT
SCHEMBL10138316 0.82 SLC22A12 (0.51) CCNCCDK8SLC22A12ARMKNK1
SCHEMBL10138309 0.82 SLC22A12 (0.53) CCNCCDK8SLC22A12ARMKNK1

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 4 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-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

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.