SCHEMBL3545385

SCHEMBL3545385

CCS(=O)(=O)c1ccc(Oc2cc(C#Cc3ccccn3)c(N)nc2Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.35
GRM5 P41594 7/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KCNH2 Q12809 1/20 0.31
HAO1 Q9UJM8 2/20 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
SCHEMBL3551372 0.85 MET (0.32) GCKGRM5PTGDR2HAO1
SCHEMBL3550637 0.82 GCK (0.34) GCKPTGDR2HAO1
SCHEMBL3550266 0.78 GCK (0.35) GCK
SCHEMBL3547232 0.76 TRPV4 (0.32)
SCHEMBL3542130 0.72 MPO (0.35) GCK
SCHEMBL3548140 0.72 GCK (0.47) GCK
SCHEMBL3544890 0.71 GCK (0.33) GCKGRM5PTGDR2HAO1
SCHEMBL3539954 0.70 ALDH1A1 (0.34) GRM5
SCHEMBL3544609 0.69 S1PR4 (0.38) GCKGRM5
SCHEMBL2645858 0.67 POLB (0.42)

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 3/4885GRM5 1610/4885PTGDR2 3001/4885

“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.