SCHEMBL3205959

SCHEMBL3205959

N#CC=Cc1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP20 Q9Y2K6 1/20 0.35
KIF11 P52732 2/20 0.33
ENPP2 Q13822 1/20 0.32
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30

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
SCHEMBL3205951 1.00 USP20 (0.35) USP20KIF11ENPP2CCNB2CDK1
SCHEMBL13613349 0.85 KIF11 (0.35) KIF11GSK3B
SCHEMBL3201832 0.84 GSK3B (0.43) KIF11GSK3B
SCHEMBL3204812 0.84 GSK3B (0.43) KIF11GSK3B
SCHEMBL3201820 0.84 GSK3B (0.43) KIF11GSK3B
SCHEMBL3205455 0.83 SIRT2 (0.39) KIF11
SCHEMBL3205467 0.83 SIRT2 (0.39) KIF11
SCHEMBL3206697 0.82 KIF11 (0.44) KIF11GSK3B
SCHEMBL3209331 0.81 GSK3B (0.37) KIF11CCNB2CDK1CCNB1GSK3B
SCHEMBL3206866 0.80 MAOB (0.34) KIF11GSK3B

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-2119703-B1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-12-12 EP disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 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-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY NFKBIA, IKBKB, IKBKG USP20 1210/4885KIF11 2732/4885ENPP2 1967/4885

“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.