SCHEMBL3835635

SCHEMBL3835635

NC(=O)Nc1[nH]c2cc(-c3ccc(N)cn3)ccc2c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.39
JAK3 P52333 4/20 0.39
KCNH2 Q12809 3/20 0.39
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.33
MAPT P10636 2/20 0.33
RIPK2 O43353 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MAP3K11 Q16584 1/20 0.33
GSK3B P49841 1/20 0.33
HPGDS O60760 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL9885160 0.84 GSK3B (0.42) GSK3BIDO1TDO2
SCHEMBL3829293 0.83 CHEK2 (0.44) JAK2JAK3
SCHEMBL3205809 0.81 GSK3B (0.47) JAK2JAK3KCNH2MAPK1MAP3K11
SCHEMBL13613410 0.81 PARP1 (0.41) MAPTIDO1TDO2
SCHEMBL3831031 0.81 ABL1 (0.42) MAPK1DYRK1AGSK3B
SCHEMBL3832824 0.80 PDPK1 (0.49) JAK2JAK3KCNH2IDO1TDO2
SCHEMBL13613327 0.79 MKNK1 (0.49) MAPK1MAPTDYRK1AGSK3B
SCHEMBL3835325 0.79 DYRK1A (0.35) JAK2JAK3KCNH2MAPK1DYRK1A
SCHEMBL3214652 0.79 LRRK2 (0.41) JAK2JAK3KCNH2MAPK1DYRK1A
SCHEMBL3209490 0.79 AAK1 (0.46)

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 6 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-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 JAK2 438/4885JAK3 1320/4885KCNH2 1202/4885

“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.