SCHEMBL1479478

SCHEMBL1479478

CS(=O)(=O)Nc1cc(C#Cc2cncc(Cl)c2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.42
PDGFRB P09619 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
GRM5 P41594 4/20 0.40
CHUK O15111 1/20 0.39
PTGS1 P23219 5/20 0.38
PTGS2 P35354 5/20 0.38
KDM1A O60341 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
MAOA P21397 1/20 0.38
SLC22A12 Q96S37 1/20 0.36
MAP3K20 Q9NYL2 1/20 0.36

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
SCHEMBL1476751 0.86 SLC22A12 (0.46) KDRPDGFRBPTGDR2KDM1AMAOA
SCHEMBL1477160 0.84 GRM5 (0.44) KDRPDGFRBPTGDR2GRM5PTGS1
SCHEMBL1478484 0.80 GRM5 (0.45) KDRPDGFRBGRM5CHUK
SCHEMBL1477250 0.76 GRM5 (0.43) GRM5
SCHEMBL1477461 0.75 GRM5 (0.51) GRM5
SCHEMBL1477183 0.74 GRM5 (0.42) KDRGRM5
SCHEMBL29467983 0.73 ACLY (0.52) KDM1AMAOASLC22A12
SCHEMBL10208423 0.73 ACLY (0.52) KDM1AMAOASLC22A12
SCHEMBL1477380 0.72 GRM5 (0.41) GRM5
SCHEMBL1476593 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 KDR 4013/4885PDGFRB 2886/4885PTGDR2 334/4885

“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.