SCHEMBL1478439

SCHEMBL1478439

CNC(=O)c1cc(C#Cc2cncc(Cl)c2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.45
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
NUDT1 P36639 2/20 0.44
GAA P10253 1/20 0.41
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40

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
SCHEMBL1477123 0.86 GRM5 (0.48) GRM5PIK3CAMTORNUDT1GAA
SCHEMBL1478106 0.84 GRM5 (0.44) GRM5PIK3CAMTORNUDT1GAA
SCHEMBL1477148 0.83 GRM5 (0.44) GRM5LCKKDRTEK
Hydrochloric Acid SCHEMBL1477297 0.81 GRM5 (0.52) GRM5PIK3CAMTOR
SCHEMBL1478484 0.77 GRM5 (0.45) GRM5KDR
SCHEMBL1477250 0.76 GRM5 (0.43) GRM5
SCHEMBL1477461 0.75 GRM5 (0.51) GRM5
SCHEMBL1477183 0.74 GRM5 (0.42) GRM5KDR
SCHEMBL17546405 0.73 GAA (0.51) GRM5PIK3CAMTORGAA
SCHEMBL1477380 0.72 GRM5 (0.41) GRM5

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-7915424-B2 Analgesics; anxiolytic agents ELI LILLY AND COMPANY (US) 2011-03-29 US disclosed
EP-1729771-B1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-14 EP disclosed
US-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists ELI LILLY AND COMPANY (US) 2008-08-14 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-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists HRH4, CNR2, CNR1 GRM5 48/4885PIK3CA 4155/4885MTOR 4517/4885

“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.