SCHEMBL1478816

SCHEMBL1478816

COC(=N)c1cncc(C#Cc2cccc(C#N)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.42
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
BRAF P15056 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
SCHEMBL4470152 0.80 GRM5 (0.48) GRM5
SCHEMBL1476533 0.78 GRM5 (0.53) GRM5
SCHEMBL1477153 0.76 GRM5 (0.57) GRM5
SCHEMBL1477807 0.74 GRM5 (0.56) GRM5
SCHEMBL1477420 0.74 ACACB (0.44) GRM5PDGFRBKDRBRAF
SCHEMBL1477115 0.73 GRM5 (0.53) GRM5
SCHEMBL1476753 0.71 GRM5 (0.47) GRM5
SCHEMBL1476865 0.71 GRM5 (0.65) GRM5
SCHEMBL1477087 0.71 GRM5 (0.47) GRM5
SCHEMBL1477622 0.71 CHRNB2 (0.48) 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 48/4885PDGFRB 2886/4885KDR 4013/4885

“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.