SCHEMBL3544890

SCHEMBL3544890

CCS(=O)(=O)c1ccc(Oc2cc(C#Cc3ccccn3)c(NC(=O)C(F)(F)F)nc2Oc2c(F)cccc2F)cn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.33
GRM4 Q14833 5/20 0.32
GRM5 P41594 3/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
FGFR4 P22455 1/20 0.30
HAO1 Q9UJM8 1/20 0.30
MET P08581 1/20 0.30
CYP3A4 P08684 1/20 0.30
RORC P51449 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
SCHEMBL3550637 0.88 GCK (0.34) GCKGRM4PTGDR2FGFR4HAO1
SCHEMBL3551372 0.84 MET (0.32) GCKGRM5PTGDR2HAO1MET
SCHEMBL3543751 0.74 GCK (0.44) GCK
SCHEMBL3549300 0.71 GCK (0.40) GCK
SCHEMBL3543463 0.71 SLC22A12 (0.35) GCK
SCHEMBL3545385 0.71 GCK (0.35) GCKGRM5PTGDR2HAO1
SCHEMBL3543057 0.70 GCK (0.43) GCK
SCHEMBL3541036 0.70 DHODH (0.34) GCK
SCHEMBL3547701 0.70 GCK (0.31) GCK
SCHEMBL3542510 0.69 CDK8 (0.32) GCK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935890-B1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD KK (JP) 2016-03-16 EP disclosed
US-7799820-B2 2-Heterocycle-substituted indole derivatives for treating diabetes and associated conditions BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-20090118304-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 US disclosed
EP-1935890-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 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-20090118304-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE GCKR, GPR119, GCK GCK 3/4885GRM4 1253/4885GRM5 1610/4885

“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.