SCHEMBL4479224

SCHEMBL4479224

CSc1nc(Nc2ccc(F)cc2)c(C=O)c(-c2ccc(F)cc2F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
MAPK14 Q16539 1/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
THRB P10828 2/20 0.40
TP53 P04637 2/20 0.40
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
AURKA O14965 1/20 0.36
HSP90AB1 P08238 2/20 0.35
MAPK1 P28482 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
KIT P10721 2/20 0.34

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
SCHEMBL4463203 0.89 MAPK14 (0.41) CA1CA2CA7MAPK14LMNA
SCHEMBL4467853 0.89 CA1 (0.37) CA1CA2CA7MAPK14LMNA
SCHEMBL4475432 0.84 MAPT (0.35) CA1CA2CA7MAPK14LMNA
SCHEMBL4473277 0.81 MAPT (0.42) CA1CA2CA7MAPK14LMNA
SCHEMBL4485689 0.81 CA1 (0.39) CA1CA2CA7MAPK14LMNA
SCHEMBL4487332 0.79 CA1 (0.36) CA1CA2CA7LMNAMAPT
SCHEMBL1064841 0.78 HSP90AB1 (0.44) CA1CA2CA7MAPK14LMNA
SCHEMBL4467254 0.78 CA1 (0.38) CA1CA2CA7MAPK14LMNA
SCHEMBL1063918 0.78 HSP90AB1 (0.43) CA1CA2CA7MAPK14LMNA
SCHEMBL1065963 0.77 HSP90AB1 (0.45) CA1CA2CA7LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499320-B1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP claimed
US-20060293348-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-28 US claimed
EP-1499320-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-05-17 EP claimed
EP-1499320-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2005-01-26 EP claimed
WO-2003088972-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-30 WO claimed
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
EP-1499320-B1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP disclosed
US-20060293348-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-28 US disclosed
EP-1499320-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-05-17 EP disclosed
EP-1499320-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2005-01-26 EP disclosed
WO-2003088972-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-30 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-20060293348-A1 Novel compounds MAPKAPK2, CREBBP, CDC42BPB CA1 4694/4885CA2 3847/4885CA7 4043/4885

“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.