SCHEMBL3220486

SCHEMBL3220486

NC(=O)Nc1[nH]c2cc(-c3cc(F)cc(F)c3)ccc2c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.42
CYP1A2 P05177 1/20 0.42
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
MAPK1 P28482 1/20 0.39
KIF11 P52732 4/20 0.37
NTRK1 P04629 1/20 0.36
TNKS2 Q9H2K2 2/20 0.36
PDGFRB P09619 3/20 0.35
KDR P35968 3/20 0.35
MEN1 O00255 1/20 0.35
IKBKB O14920 1/20 0.35
JAK2 O60674 1/20 0.35
EIF2AK2 P19525 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GPR17 Q13304 1/20 0.34
GSK3A P49840 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3215596 0.91 TNKS2 (0.45) GSK3BIDO1TDO2MAPK1KIF11
SCHEMBL3209326 0.90 TNKS2 (0.48) GSK3BIDO1TDO2MAPK1NTRK1
SCHEMBL3212685 0.85 TDO2 (0.47) GSK3BIDO1TDO2MAPK1KIF11
SCHEMBL3206710 0.85 GSK3B (0.42) GSK3BKIF11PDGFRBKDRHDAC6
SCHEMBL9885160 0.84 GSK3B (0.42) GSK3BIDO1TDO2KIF11PDGFRB
SCHEMBL3206124 0.84 FEN1 (0.44) GSK3BTNKS2PDGFRBKDRIKBKB
SCHEMBL3835325 0.84 DYRK1A (0.35) GSK3BIDO1TDO2MAPK1KIF11
SCHEMBL3217348 0.83 KIF11 (0.48) GSK3BKIF11TNKS2PDGFRBKDR
SCHEMBL3212694 0.83 MAP2 (0.42) KIF11IKBKBHDAC6
SCHEMBL9885157 0.82 KIF11 (0.54) GSK3BKIF11NTRK1PDGFRBKDR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GSK3B 278/4885CYP1A2 4686/4885IDO1 56/4885

“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.