SCHEMBL578459

SCHEMBL578459

CN(C)C(=O)C=Cc1ccc(-c2cncc3ccc(C(N)=O)cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.45
CCNC P24863 9/20 0.44
CDK8 P49336 9/20 0.44
AR P10275 1/20 0.38
CYP3A4 P08684 1/20 0.38
IP6K1 Q92551 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ACVR1 Q04771 1/20 0.36
FLT3 P36888 1/20 0.36
MYLK Q15746 1/20 0.36
AURKB Q96GD4 1/20 0.36
CILK1 Q9UPZ9 1/20 0.36
CDK11A Q9UQ88 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
SCHEMBL578458 1.00 SLC22A12 (0.45) SLC22A12CCNCCDK8ARCYP3A4
SCHEMBL13091720 0.83 SLC22A12 (0.46) SLC22A12CCNCCDK8ARCYP3A4
SCHEMBL10138316 0.83 SLC22A12 (0.51) SLC22A12CCNCCDK8ARCYP3A4
SCHEMBL10138273 0.82 CCNC (0.45) SLC22A12CCNCCDK8ARCYP3A4
SCHEMBL27902071 0.82 CCNC (0.52) CCNCCDK8CYP3A4IP6K1IP6K2
SCHEMBL618500 0.81 SLC22A12 (0.39) SLC22A12CCNCCDK8CYP3A4IP6K1
SCHEMBL578723 0.81 SLC22A12 (0.39) SLC22A12CCNCCDK8CYP3A4IP6K1
SCHEMBL10138302 0.80 SLC22A12 (0.51) SLC22A12CCNCCDK8ARCYP3A4
SCHEMBL578705 0.79 SLC22A12 (0.47) SLC22A12CCNCCDK8AR
SCHEMBL10138319 0.79 SLC22A12 (0.54) SLC22A12CCNCCDK8ARACVR1

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 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.