SCHEMBL4486516

SCHEMBL4486516

Cc1[nH]c(C)c(-c2c[nH]c(-c3ccccc3F)cc2=O)c(=O)c1Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SLC2A1 P11166 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
NPC1 O15118 1/20 0.36
MTOR P42345 1/20 0.36
KCNA3 P22001 1/20 0.35
PTGS2 P35354 1/20 0.34
CDC7 O00311 1/20 0.33
HSP90AA1 P07900 1/20 0.32
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
PGR P06401 1/20 0.31
NPY5R Q15761 1/20 0.31

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
SCHEMBL4490983 0.86 ADORA2A (0.41) ADORA2AADORA1TNKSTNKS2NPC1
SCHEMBL4488016 0.86 BRD4 (0.39) SLC2A1TNKS2HSP90AA1AURKAAURKB
SCHEMBL4489339 0.85 SLC2A1 (0.41) SLC2A1NPY5R
SCHEMBL4490476 0.84 SLC2A1 (0.38) ADORA2AADORA1SLC2A1NPC1CDC7
SCHEMBL4464654 0.83 ADORA2A (0.39) ADORA2AADORA1SLC2A1TNKS2NPC1
SCHEMBL4487870 0.78 SLC2A1 (0.40) SLC2A1NPC1
SCHEMBL4472791 0.78 SLC2A1 (0.46) SLC2A1TNKSPTGS2NPY5R
SCHEMBL4484311 0.77 BRD4 (0.38) SLC2A1PGR
SCHEMBL4476392 0.77 SLC2A1 (0.43) SLC2A1
SCHEMBL4493394 0.77 SLC2A1 (0.52) SLC2A1CDC7NPY5R

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 6 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 claimed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US claimed
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
EP-1858876-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006094799-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2006-09-14 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-20080287461-A1 Pyridinone Derivatives Against Malaria G6PD, PNPO, PLPBP ADORA2A 868/4885ADORA1 319/4885SLC2A1 2278/4885

“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.