SCHEMBL3204065

SCHEMBL3204065

N#Cc1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
MAP2 P11137 1/20 0.42
CSF1R P07333 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
PARP1 P09874 2/20 0.39
GRM2 Q14416 1/20 0.37
CHEK2 O96017 1/20 0.36
CASP1 P29466 1/20 0.36
PLAU P00749 1/20 0.36
FLT3 P36888 2/20 0.35
MYC P01106 1/20 0.35
CHEK1 O14757 3/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CDK2AP1 O14519 1/20 0.35
DEGS1 O15121 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL3218751 0.90 BTK (0.40) MAP2PARP1GRM2
SCHEMBL3207821 0.90 ABL1 (0.44) CSF1RPARP1PLAUCHEK1
SCHEMBL9885160 0.85 GSK3B (0.42) GSK3BCSF1RPARP1
SCHEMBL3206124 0.85 FEN1 (0.44) GSK3BCHEK2
SCHEMBL3217348 0.84 KIF11 (0.48) GSK3BCSF1RCHEK2CHEK1
SCHEMBL3212694 0.84 MAP2 (0.42) MAP2CHEK2HDAC2
SCHEMBL3215596 0.84 TNKS2 (0.45) GSK3BCHEK2FLT3
SCHEMBL3836025 0.83 MYC (0.53) GSK3BGRM2MYCCHEK1
SCHEMBL3206899 0.82 GSK3B (0.43) GSK3BHDAC2
SCHEMBL13613324 0.82 KIF11 (0.40) CSF1RCHEK2FLT3

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
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

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 278/4885MAP2 964/4885CSF1R 2172/4885

“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.