SCHEMBL7590302

SCHEMBL7590302

CCCCCCCCCCc1cccc(-n2cc(Cc3ncccn3)c(=O)[nH]c2=S)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.37
GPR84 Q9NQS5 1/20 0.37
PLA2G7 Q13093 2/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
UNG P13051 2/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL7010646 0.85 PLA2G7 (0.39) DHFRGPR84PLA2G7CETP
SCHEMBL7012920 0.73 PLA2G7 (0.44) PLA2G7
SCHEMBL7011218 0.73 PLA2G7 (0.44) PLA2G7
SCHEMBL11734497 0.67 SIRT2 (0.37) KMT2A
SCHEMBL7829766 0.64 HTR1A (0.48) DHFRPPARGPPARAKMT2ALPL
SCHEMBL27550693 0.62 DHFR (0.52) DHFRPPARGPPARALPLLIPG
SCHEMBL7011376 0.62 PLA2G7 (0.46) PLA2G7KMT2A
SCHEMBL29742685 0.61 LPL (0.67) PPARGPPARALPLLIPG
SCHEMBL4032533 0.61 LPL (0.67) PPARGPPARALPLLIPG
SCHEMBL5249436 0.61 LPL (0.67) PPARGPPARALPLLIPG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 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-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them PLA2G7, PLA2G1B, PLA2G4C DHFR 41/4885GPR84 887/4885PLA2G7 1/4885

“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.