SCHEMBL4485689

SCHEMBL4485689

CSc1nc(Nc2ccc(F)cc2F)c(C=O)c(-c2ccc(F)cc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
MAPT P10636 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
MEN1 O00255 1/20 0.35
MAPK14 Q16539 3/20 0.34
ZAP70 P43403 1/20 0.34
HSP90AB1 P08238 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
TP53 P04637 1/20 0.33
AKT1 P31749 1/20 0.33
GRM2 Q14416 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32

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 0.91 MAPK14 (0.41) CA1CA2CA7MAPTRXFP1
SCHEMBL4473277 0.86 MAPT (0.42) CA1CA2CA7MAPTRXFP1
SCHEMBL4486521 0.85 CA1 (0.54) CA1CA2CA7MAPTRXFP1
SCHEMBL4479224 0.81 CA1 (0.47) CA1CA2CA7MAPTRXFP1
SCHEMBL4467853 0.81 CA1 (0.37) CA1CA2CA7MAPTRXFP1
SCHEMBL4475432 0.80 MAPT (0.35) CA1CA2CA7MAPTRXFP1
SCHEMBL1063918 0.80 HSP90AB1 (0.43) CA1CA2CA7MAPTRXFP1
SCHEMBL4464777 0.80 ALDH1A1 (0.41) CA1CA2CA7MAPTRXFP1
SCHEMBL4944619 0.78 HSP90AB1 (0.36) CA1CA2CA7MAPTRXFP1
SCHEMBL1065995 0.77 HSP90AB1 (0.44) CA1CA2CA7MAPTRXFP1

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
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
CN-1646131-A Novel compounds SMITHKLINE BEECHAM CORP (US) 2005-07-27 CN 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.