SCHEMBL3209326

SCHEMBL3209326

NC(=O)Nc1[nH]c2cc(-c3cccc(F)c3)ccc2c1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.48
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
MAP4K4 O95819 2/20 0.44
ALDH1A1 P00352 1/20 0.43
ICMT O60725 1/20 0.43
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
LRRK2 Q5S007 1/20 0.41
ABL1 P00519 1/20 0.41
CDC7 O00311 1/20 0.40
ALOX5 P09917 1/20 0.39
CHEK2 O96017 1/20 0.39
PDGFRB P09619 2/20 0.38
PRKD3 O94806 1/20 0.38
NTRK1 P04629 1/20 0.38
PDGFRA P16234 1/20 0.38
PRKACA P17612 1/20 0.38
LTK P29376 1/20 0.38
CSNK1A1 P48729 1/20 0.38

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
SCHEMBL3220486 0.90 GSK3B (0.42) TNKS2GSK3AGSK3BALDH1A1IDO1
SCHEMBL3215596 0.89 TNKS2 (0.45) TNKS2GSK3BALDH1A1IDO1TDO2
SCHEMBL3206124 0.87 FEN1 (0.44) TNKS2GSK3AGSK3BCHEK2PDGFRB
SCHEMBL3209490 0.86 AAK1 (0.46) MAP4K4PDGFRBNTRK3AURKBKDR
SCHEMBL3197150 0.86 AAK1 (0.44) GSK3BPDGFRBKDRDHODH
SCHEMBL3212685 0.86 TDO2 (0.47) GSK3BALDH1A1IDO1TDO2MAP2
SCHEMBL3205678 0.85 PDGFRB (0.49) TNKS2ICMTABL1CDC7PDGFRB
SCHEMBL3217098 0.85 NUDT1 (0.45) ALOX5MAP2
SCHEMBL9885313 0.85 KIF11 (0.57) CHEK2PDGFRBNTRK1NTRK2AURKB
SCHEMBL3194817 0.83 TRIM24 (0.42) TNKS2GSK3BPDGFRBCDK8KDR

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 13 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 claimed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US claimed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US claimed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP claimed
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-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US 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
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 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
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 TNKS2 561/4885GSK3A 294/4885GSK3B 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.