SCHEMBL3209528

SCHEMBL3209528

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
MITF O75030 1/20 0.32
MAPT P10636 1/20 0.32
IKBKB O14920 1/20 0.31

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
SCHEMBL3217029 0.88 IKBKB (0.35) KIF11PDGFRBKDRMITFMAPT
SCHEMBL3195667 0.86 KIF11 (0.32) KIF11PDGFRBKDRMITFMAPT
SCHEMBL3205779 0.85 NPC1 (0.35) KIF11PDGFRBKDRMITFMAPT
SCHEMBL3194618 0.82 GRIA2 (0.38) PDGFRBKDRMAPTIKBKB
SCHEMBL3215660 0.82 IKBKB (0.36) KIF11PDGFRBKDRMITFMAPT
SCHEMBL3207011 0.82 MET (0.37) KIF11PDGFRBMITFMAPTIKBKB
SCHEMBL3194741 0.81 GRIK1 (0.38) KIF11PDGFRBKDRMITFMAPT
SCHEMBL3218751 0.80 BTK (0.40) KIF11MAPT
SCHEMBL3210460 0.80 KIF11 (0.36) KIF11PDGFRBKDRMITFMAPT
SCHEMBL3214821 0.80 LSS (0.37) KIF11PDGFRBKDRMITFMAPT

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 7 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
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 KIF11 2732/4885PDGFRB 2002/4885KDR 2911/4885

“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.