SCHEMBL3205779

SCHEMBL3205779

CC(O)CC#Cc1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MITF O75030 1/20 0.32
MAPT P10636 1/20 0.32
KIF11 P52732 1/20 0.31
PDGFRB P09619 2/20 0.30
KDR P35968 1/20 0.30
CDC7 O00311 1/20 0.30
PLK4 O00444 1/20 0.30
AURKA O14965 1/20 0.30
RPS6KA4 O75676 1/20 0.30
CDKL5 O76039 1/20 0.30
STK10 O94804 1/20 0.30
LATS1 O95835 1/20 0.30
ABL1 P00519 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
YES1 P07947 1/20 0.30

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
SCHEMBL3209528 0.85 KIF11 (0.32) MITFMAPTKIF11PDGFRBKDR
SCHEMBL3194741 0.85 GRIK1 (0.38) MITFMAPTKIF11PDGFRBKDR
SCHEMBL3217029 0.85 IKBKB (0.35) MITFMAPTKIF11PDGFRBKDR
SCHEMBL3207011 0.83 MET (0.37) MITFMAPTKIF11PDGFRBCDC7
SCHEMBL3195667 0.83 KIF11 (0.32) MITFMAPTKIF11PDGFRBKDR
SCHEMBL3215389 0.83 GRIK1 (0.39) MITFMAPTKIF11
SCHEMBL3214821 0.82 LSS (0.37) MITFMAPTKIF11PDGFRBKDR
SCHEMBL3206779 0.81 GRIK1 (0.34) KIF11
SCHEMBL3215660 0.79 IKBKB (0.36) NPC1RAB9AL3MBTL1MITFMAPT
SCHEMBL3194618 0.79 GRIA2 (0.38) NPC1RAB9AMAPTPDGFRBKDR

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
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-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 NPC1 2210/4885RAB9A 3159/4885ATM 2105/4885

“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.