SCHEMBL3206697

SCHEMBL3206697

NC(=O)Nc1[nH]c2cc(C=O)ccc2c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.44
GSK3B P49841 1/20 0.40
CYP2A6 P11509 2/20 0.33
MITF O75030 1/20 0.33
MAPT P10636 1/20 0.33
PARP10 Q53GL7 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
PARP1 P09874 1/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTGS2 P35354 1/20 0.31
RAB9A P51151 1/20 0.31
TTK P33981 1/20 0.31
CYP3A4 P08684 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
SCHEMBL3209331 0.88 GSK3B (0.37) KIF11GSK3BMITFMAPTPDGFRB
SCHEMBL13613349 0.86 KIF11 (0.35) KIF11GSK3BPDGFRBKDR
SCHEMBL3194817 0.86 TRIM24 (0.42) KIF11GSK3BPDGFRBKDR
SCHEMBL3201820 0.85 GSK3B (0.43) KIF11GSK3BMITFMAPTPDGFRB
SCHEMBL3204812 0.85 GSK3B (0.43) KIF11GSK3BMITFMAPTPDGFRB
SCHEMBL3201832 0.85 GSK3B (0.43) KIF11GSK3BMITFMAPTPDGFRB
SCHEMBL3205467 0.84 SIRT2 (0.39) KIF11MAPTKDRRAB9ACYP3A4
SCHEMBL3205455 0.84 SIRT2 (0.39) KIF11MAPTKDRRAB9ACYP3A4
SCHEMBL3205951 0.82 USP20 (0.35) KIF11GSK3B
SCHEMBL3205959 0.82 USP20 (0.35) 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 5 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
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 KIF11 2732/4885GSK3B 278/4885CYP2A6 4724/4885

“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.