SCHEMBL4467254

SCHEMBL4467254

CSc1nc(Nc2c(F)cc(F)cc2F)c(C=O)c(-c2ccc(F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
RXFP1 Q9HBX9 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
THRB P10828 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
CA13 Q8N1Q1 2/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
MAPK13 O15264 2/20 0.30
MAPK12 P53778 2/20 0.30
MAPK11 Q15759 2/20 0.30
MAPK14 Q16539 2/20 0.30

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
SCHEMBL4467853 0.87 CA1 (0.37) CA1CA2CA7RXFP1MAPT
SCHEMBL4487332 0.84 CA1 (0.36) CA1CA2CA7RXFP1MAPT
SCHEMBL4464777 0.82 ALDH1A1 (0.41) CA1CA2CA7RXFP1MAPT
SCHEMBL4467804 0.81 CA1 (0.54) CA1CA2CA7LMNACA13
SCHEMBL4479224 0.78 CA1 (0.47) CA1CA2CA7RXFP1MAPT
SCHEMBL1064841 0.77 HSP90AB1 (0.44) CA1CA2CA7RXFP1MAPT
SCHEMBL4463203 0.76 MAPK14 (0.41) CA1CA2CA7RXFP1MAPT
SCHEMBL1060727 0.75 CA1 (0.38) CA1CA2CA7RXFP1MAPT
SCHEMBL27536693 0.75 CCNA2 (0.40) RXFP1ALDH1A1L3MBTL1PTGS2PTGS1
SCHEMBL27728879 0.74 CA1 (0.35) CA1CA2CA7RXFP1MAPT

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 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.