SCHEMBL3836025

SCHEMBL3836025

N#Cc1cc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.53
AAK1 Q2M2I8 1/20 0.41
USP30 Q70CQ3 1/20 0.38
LRRK2 Q5S007 1/20 0.36
MAPK1 P28482 4/20 0.36
GSK3B P49841 4/20 0.35
CTSC P53634 2/20 0.35
CHEK1 O14757 2/20 0.34
PARP14 Q460N5 1/20 0.34
GRM2 Q14416 1/20 0.34
NR3C2 P08235 1/20 0.33
WNT1 P04628 1/20 0.33
DYRK1A Q13627 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
SCHEMBL13613327 0.84 MKNK1 (0.49) AAK1MAPK1GSK3BNR3C2DYRK1A
SCHEMBL3194737 0.83 CCNC (0.46) MAPK1GSK3BNR3C2
SCHEMBL3204065 0.83 GSK3B (0.43) MYCGSK3BCHEK1GRM2
SCHEMBL3206899 0.83 GSK3B (0.43) LRRK2GSK3B
SCHEMBL3207821 0.80 ABL1 (0.44) CHEK1
SCHEMBL3835122 0.78 PGR (0.38) LRRK2CTSCCHEK1
SCHEMBL3212756 0.78 CDC7 (0.42) MAPK1
SCHEMBL9885160 0.78 GSK3B (0.42) AAK1GSK3B
SCHEMBL3206124 0.78 FEN1 (0.44) GSK3B
SCHEMBL3218751 0.78 BTK (0.40) GRM2

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 5 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

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 MYC 1430/4885AAK1 345/4885USP30 908/4885

“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.