SCHEMBL3206866

SCHEMBL3206866

NC(=O)Nc1[nH]c2cc(C=CC3CC3)ccc2c1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
TBK1 Q9UHD2 4/20 0.33
GSK3B P49841 3/20 0.33
KIF11 P52732 2/20 0.32
AAK1 Q2M2I8 1/20 0.31
MAPT P10636 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
PADI4 Q9UM07 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
SCHEMBL3206848 1.00 MAOB (0.34) MAOBTBK1GSK3BKIF11AAK1
SCHEMBL3201700 0.94 TBK1 (0.37) MAOBTBK1GSK3BKIF11PADI4
SCHEMBL3201717 0.94 TBK1 (0.37) MAOBTBK1GSK3BKIF11PADI4
SCHEMBL13613349 0.84 KIF11 (0.35) GSK3BKIF11
SCHEMBL3204812 0.83 GSK3B (0.43) GSK3BKIF11MAPT
SCHEMBL3201832 0.83 GSK3B (0.43) GSK3BKIF11MAPT
SCHEMBL3201820 0.83 GSK3B (0.43) GSK3BKIF11MAPT
SCHEMBL3205467 0.82 SIRT2 (0.39) KIF11MAPT
SCHEMBL3205455 0.82 SIRT2 (0.39) KIF11MAPT
SCHEMBL3206697 0.81 KIF11 (0.44) GSK3BKIF11MAPT

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 MAOB 2402/4885TBK1 35/4885GSK3B 278/4885

“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.