SCHEMBL3411231

SCHEMBL3411231

Cc1ccc(C(=O)N2CCc3[nH]ncc3C2)cc1C#Cc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.52
NAMPT P43490 2/20 0.48
GRM5 P41594 4/20 0.45
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
CYP3A4 P08684 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
EPHB2 P29323 1/20 0.41
EPHB3 P54753 1/20 0.41
EPHB4 P54760 1/20 0.41
KCNH2 Q12809 1/20 0.41
DDR2 Q16832 1/20 0.41
MAP4K3 Q8IVH8 1/20 0.41
NEK6 Q9HC98 1/20 0.41
SPR P35270 2/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3414673 0.90 NAMPT (0.49) KITNAMPTGRM5ABL1LCK
SCHEMBL3414890 0.89 NAMPT (0.45) KITNAMPTGRM5
SCHEMBL3414939 0.88 NAMPT (0.47) KITNAMPTGRM5SPRKDM4E
SCHEMBL3410527 0.86 GRM5 (0.59) KITGRM5CYP3A4KDM4E
SCHEMBL3413244 0.84 KIT (0.55) KITGRM5
SCHEMBL3411237 0.84 KIT (0.52) KITNAMPTGRM5KDM4E
SCHEMBL3413404 0.82 NAMPT (0.47) KITNAMPTGRM5KDM4E
SCHEMBL3411194 0.82 KIT (0.50) KITNAMPTGRM5SPRKDM4E
SCHEMBL3412226 0.81 KIT (0.52) KITGRM5CYP3A4
SCHEMBL3411122 0.81 KIT (0.51) KITNAMPTGRM5CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273772-A1 Bisaryl Alkynylamides as Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5 (MGLUR5) WYETH LLC (US) 2010-10-28 US claimed
WO-2010124047-A1 BISARYL ALKYNYLAMIDES AS NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) WYETH LLC (US) 2010-10-28 WO disclosed
US-20100273772-A1 Bisaryl Alkynylamides as Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5 (MGLUR5) WYETH LLC (US) 2010-10-28 US 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-20100273772-A1 Bisaryl Alkynylamides as Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5 (MGLUR5) GRM5, GRM1, GRM2 KIT 4672/4885NAMPT 4640/4885GRM5 1/4885

“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.