SCHEMBL4467804

SCHEMBL4467804

CSc1nc(Cl)c(C=O)c(Nc2c(F)cc(F)cc2F)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA7 P43166 5/20 0.54
CA13 Q8N1Q1 4/20 0.46
JAK2 O60674 1/20 0.33
DHODH Q02127 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
PPARG P37231 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1060749 0.87 CA1 (0.57) CA1CA2CA7CA13JAK2
SCHEMBL4486521 0.84 CA1 (0.54) CA1CA2CA7CA13LMNA
SCHEMBL4464777 0.81 ALDH1A1 (0.41) CA1CA2CA7LMNASMN1; SMN2
SCHEMBL4467254 0.81 CA1 (0.38) CA1CA2CA7CA13DHODH
SCHEMBL4467853 0.80 CA1 (0.37) CA1CA2CA7CA13JAK2
SCHEMBL4487332 0.79 CA1 (0.36) CA1CA2CA7CA13DHODH
SCHEMBL1059121 0.79 CA1 (0.56) CA1CA2CA7CA13PPARG
SCHEMBL1058960 0.75 CA1 (0.71) CA1CA2CA7CA13PPARG
SCHEMBL25207733 0.74 CA1 (0.56) CA1CA2CA7CA13PPARG
SCHEMBL30924263 0.74 CA1 (0.56) CA1CA2CA7CA13PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
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
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.