SCHEMBL3414673

SCHEMBL3414673

O=C(c1ccc(Cl)c(C#Cc2ccccn2)c1)N1CCc2[nH]ncc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.49
GRM5 P41594 1/20 0.44
KIT P10721 2/20 0.44
HPGD P15428 1/20 0.41
MAPK14 Q16539 2/20 0.40
TACR3 P29371 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
CYP3A4 P08684 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38
EPHB2 P29323 1/20 0.38
EPHB3 P54753 1/20 0.38
EPHB4 P54760 1/20 0.38
KCNH2 Q12809 1/20 0.38
DDR2 Q16832 1/20 0.38
MAP4K3 Q8IVH8 1/20 0.38
NEK6 Q9HC98 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL3411231 0.90 KIT (0.52) NAMPTGRM5KITKDM4EABL1
SCHEMBL3414890 0.87 NAMPT (0.45) NAMPTGRM5KITLMNA
SCHEMBL3414939 0.87 NAMPT (0.47) NAMPTGRM5KITHPGDKDM4E
SCHEMBL3415277 0.87 GRM5 (0.58) GRM5HPGDKDM4ECYP3A4HSP90AB1
SCHEMBL3412248 0.84 GRM5 (0.48) NAMPTGRM5KITHPGDMAPK14
SCHEMBL3414936 0.84 NAMPT (0.42) NAMPTGRM5KITMAPK14TACR3
SCHEMBL3416230 0.83 GRM5 (0.48) NAMPTGRM5KITHPGDTACR3
SCHEMBL3411248 0.83 GRM5 (0.50) GRM5KITHPGDTACR3HSP90AB1
SCHEMBL3414971 0.82 GRM5 (0.48) NAMPTGRM5KITHPGDMAPK14
SCHEMBL3412941 0.82 GRM5 (0.53) NAMPTGRM5KITHPGDKDM4E

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

“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.