SCHEMBL3205809

SCHEMBL3205809

NC(=O)Nc1[nH]c2cc(-c3ccc(N)nc3)ccc2c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
MAP3K11 Q16584 3/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
JAK2 O60674 4/20 0.44
JAK3 P52333 3/20 0.44
KCNH2 Q12809 3/20 0.44
ABL1 P00519 2/20 0.41
PARP1 P09874 1/20 0.41
DHODH Q02127 1/20 0.41
CYP3A4 P08684 2/20 0.38
PIK3CA P42336 1/20 0.38
TDO2 P48775 2/20 0.38
MAP4K4 O95819 1/20 0.37
MAPK1 P28482 1/20 0.37
MTOR P42345 2/20 0.37
NNMT P40261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL13613327 0.86 MKNK1 (0.49) GSK3BMKNK1MKNK2ABL1MAPK1
SCHEMBL3835325 0.85 DYRK1A (0.35) GSK3BMKNK1MKNK2JAK2JAK3
SCHEMBL3258138 0.84 MAP3K11 (0.45) GSK3BMAP3K11JAK2JAK3KCNH2
SCHEMBL9885160 0.84 GSK3B (0.42) GSK3BABL1PARP1TDO2
SCHEMBL3214652 0.83 LRRK2 (0.41) JAK2JAK3KCNH2ABL1MAPK1
SCHEMBL3195761 0.82 MKNK1 (0.47) GSK3BMKNK1MKNK2ABL1PARP1
SCHEMBL3831031 0.82 ABL1 (0.42) GSK3BMKNK1MKNK2ABL1PIK3CA
SCHEMBL3206899 0.81 GSK3B (0.43) GSK3BABL1LRRK2
SCHEMBL3835635 0.81 JAK2 (0.39) GSK3BMAP3K11JAK2JAK3KCNH2
SCHEMBL3206124 0.81 FEN1 (0.44) GSK3BJAK2JAK3

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 9 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-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 278/4885MAP3K11 83/4885MKNK1 116/4885

“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.