SCHEMBL4469249

SCHEMBL4469249

Cc1cc(=O)c(-c2ccc(C#Cc3cccc(C(F)(F)F)c3)nc2)c(C)o1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.44
PTGS2 P35354 1/20 0.37
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
PTGES O14684 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL4481998 0.89 PTGS2 (0.43) PTGS2PTGES
SCHEMBL4471452 0.80 KDM1A (0.44) PTGS2GRIN1GRIN2B
SCHEMBL4479235 0.76 SLC2A1 (0.42) PTGS2GRIN1GRIN2BSLC2A1
SCHEMBL13761581 0.74 PTGS2 (0.48) PTGS2
SCHEMBL4483764 0.74 PTGS2 (0.40) GRM5PTGS2
SCHEMBL9259828 0.72 PTGS2 (0.61) PTGS2
SCHEMBL9271388 0.70 PTGS2 (0.45) PTGS2
SCHEMBL4470825 0.69 PTGES (0.44) PTGS2PTGESSLC2A1
SCHEMBL4468876 0.69 PTGS2 (0.43) PTGS2
SCHEMBL4477921 0.68 DGAT1 (0.42)

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-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 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-20080287461-A1 Pyridinone Derivatives Against Malaria G6PD, PNPO, PLPBP GRM5 1948/4885PTGS2 1111/4885GRIN1 2803/4885

“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.