SCHEMBL397433

SCHEMBL397433

Cc1nn(CCC#Cc2ccccn2)nc1-c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.39
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.33
PDE10A Q9Y233 2/20 0.32
DCTPP1 Q9H773 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL104193 0.85 GRM5 (0.44) GRM5PDE10AKDM4E
SCHEMBL4203163 0.78 GRM5 (0.47) GRM5
SCHEMBL104787 0.77 GRM5 (0.44) GRM5
SCHEMBL103825 0.75 GRM5 (0.44) GRM5
Hydrochloric Acid SCHEMBL103140 0.73 GRM5 (0.43) GRM5
SCHEMBL103578 0.72 GRM5 (0.42) GRM5
SCHEMBL103114 0.71 GRM5 (0.46) GRM5
SCHEMBL103031 0.71 MAPT (0.42) GRM5KDM4E
SCHEMBL398327 0.71 EPHB4 (0.43) GRM5ATMKDM4E
SCHEMBL102760 0.71 GRM5 (0.44) GRM5PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885ATM 3987/4885LMNA 4715/4885

“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.