SCHEMBL1479162

SCHEMBL1479162

COc1cncc(C#Cc2ccc(F)c(C(N)=O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.46
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MAP4K4 O95819 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
FGFR1 P11362 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP3A5 P20815 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 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
SCHEMBL1477296 0.89 GRM5 (0.47) GRM5CYP1A2CYP3A4CYP2D6FGFR1
SCHEMBL1478106 0.85 GRM5 (0.44) GRM5CYP1A2CYP3A4CYP2D6FGFR1
Hydrochloric Acid SCHEMBL1476957 0.84 GRM5 (0.43) GRM5CYP1A2CYP3A4CYP2D6FGFR1
SCHEMBL1477148 0.82 GRM5 (0.44) GRM5MKNK1MKNK2
SCHEMBL1478622 0.81 GRM5 (0.55) GRM5MKNK2MAP4K4CA12CA1
SCHEMBL1477817 0.81 GRM5 (0.43) GRM5CYP11B1CYP11B2
SCHEMBL1476657 0.80 GRM5 (0.51) GRM5MKNK1MKNK2MAP4K4CA12
SCHEMBL1478458 0.80 GRM5 (0.54) GRM5MKNK2MAP4K4CA12CA1
SCHEMBL1476253 0.79 GRM5 (0.52) GRM5CA12CA1CA2CA9
SCHEMBL1477571 0.78 GRM5 (0.44) GRM5CYP1A2CYP3A4CYP2D6FGFR1

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 5 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
EP-1729771-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-12-13 EP disclosed
WO-2005094822-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-13 WO 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 48/4885MKNK1 3421/4885MKNK2 3333/4885

“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.