SCHEMBL3217029

SCHEMBL3217029

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.35
MITF O75030 1/20 0.32
MAPT P10636 1/20 0.32
PDGFRB P09619 3/20 0.31
KDR P35968 2/20 0.31
NR3C2 P08235 1/20 0.31
KIF11 P52732 1/20 0.31
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
LYN P07948 1/20 0.30
RET P07949 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 0.88 KIF11 (0.32) IKBKBMITFMAPTPDGFRBKDR
SCHEMBL3205779 0.85 NPC1 (0.35) MITFMAPTPDGFRBKDRKIF11
SCHEMBL3214821 0.82 LSS (0.37) MITFMAPTPDGFRBKDRKIF11
SCHEMBL3207011 0.81 MET (0.37) IKBKBMITFMAPTPDGFRBKIF11
SCHEMBL3195667 0.81 KIF11 (0.32) MITFMAPTPDGFRBKDRKIF11
SCHEMBL3194741 0.81 GRIK1 (0.38) MITFMAPTPDGFRBKDRKIF11
SCHEMBL9885299 0.81 BTK (0.36) IKBKBMITFMAPTPDGFRBKDR
SCHEMBL3215660 0.79 IKBKB (0.36) IKBKBMITFMAPTPDGFRBKDR
SCHEMBL3194618 0.79 GRIA2 (0.38) IKBKBMAPTPDGFRBKDR
SCHEMBL3215389 0.79 GRIK1 (0.39) MITFMAPTKIF11

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 IKBKB 2/4885MITF 1016/4885MAPT 3915/4885

“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.