SCHEMBL4473277

SCHEMBL4473277

CSc1nc(Nc2ccc(F)cc2F)c(C=O)c(-c2ccccc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ZAP70 P43403 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
MAPK14 Q16539 7/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL4463203 0.92 MAPK14 (0.41) MAPTRXFP1ZAP70ALDH1A1KMT2A
SCHEMBL1062033 0.90 CA1 (0.38) MAPTRXFP1ALDH1A1KMT2ALMNA
SCHEMBL4487332 0.87 CA1 (0.36) MAPTRXFP1ALDH1A1KMT2ALMNA
SCHEMBL4485689 0.86 CA1 (0.39) MAPTRXFP1ZAP70ALDH1A1KMT2A
SCHEMBL4475432 0.85 MAPT (0.35) MAPTRXFP1ZAP70ALDH1A1KMT2A
SCHEMBL1063918 0.85 HSP90AB1 (0.43) MAPTRXFP1ZAP70ALDH1A1KMT2A
SCHEMBL1065254 0.84 CA1 (0.40) MAPTRXFP1LMNAMAPK14KDM4E
SCHEMBL1060727 0.83 CA1 (0.38) MAPTRXFP1ALDH1A1LMNAKDM4E
SCHEMBL4479224 0.81 CA1 (0.47) MAPTRXFP1ALDH1A1LMNAMAPK14
SCHEMBL4467853 0.81 CA1 (0.37) MAPTRXFP1ALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US claimed
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
CN-1646131-A Novel compounds SMITHKLINE BEECHAM CORP (US) 2005-07-27 CN 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
CN-1646131-A Novel compounds SMITHKLINE BEECHAM CORP (US) 2005-07-27 CN 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 MAPT 1719/4885RXFP1 3775/4885ZAP70 1581/4885

“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.