SCHEMBL3413404

SCHEMBL3413404

Cc1ccc(C(=O)N2CCc3nc[nH]c3C2)cc1C#Cc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
KIT P10721 2/20 0.47
HTR2C P28335 1/20 0.45
KDM4E B2RXH2 1/20 0.42
GRM5 P41594 4/20 0.42
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37

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
SCHEMBL3411237 0.85 KIT (0.52) NAMPTKITKDM4EGRM5LMNA
SCHEMBL3414936 0.83 NAMPT (0.42) NAMPTKITKDM4EGRM5ALDH1A1
SCHEMBL3410527 0.83 GRM5 (0.59) KITKDM4EGRM5ALDH1A1LMNA
SCHEMBL3414785 0.83 NPC1 (0.41) KDM4EGRM5ALDH1A1
SCHEMBL3411194 0.83 KIT (0.50) NAMPTKITKDM4EGRM5LMNA
SCHEMBL3411231 0.82 KIT (0.52) NAMPTKITKDM4EGRM5
SCHEMBL3417279 0.81 GRM5 (0.50) KITGRM5ALDH1A1
SCHEMBL3416965 0.81 KIT (0.41) NAMPTKITKDM4EGRM5
SCHEMBL4419706 0.81 KIT (0.52) KITKDM4EALDH1A1LMNA
SCHEMBL3413244 0.81 KIT (0.55) KITGRM5

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 4640/4885KIT 4672/4885HTR2C 156/4885

“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.