SCHEMBL4476707

SCHEMBL4476707

NS(=O)(=O)c1ccc(Nc2cc(-c3ccc(Br)cc3)n[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.62
CDK1 P06493 3/20 0.62
CA2 P00918 6/20 0.50
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
CA1 P00915 5/20 0.46
IKBKB O14920 2/20 0.44
PTGS2 P35354 1/20 0.44
SOS1 Q07889 1/20 0.43

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
SCHEMBL4466766 0.88 CDK2 (0.62) CDK2CDK1CA2CA12CA9
SCHEMBL4475239 0.87 CDK2 (0.62) CDK2CDK1CA2CA12CA9
SCHEMBL13931766 0.87 CDK2 (0.48) CDK2CDK1CA2CA12CA9
SCHEMBL5510994 0.87 CA12 (0.50) CDK2CDK1CA2CA12CA9
SCHEMBL13918111 0.87 IKBKB (0.54) CDK2CDK1CA2CA12CA9
SCHEMBL4466637 0.86 CDK2 (0.65) CDK2CDK1CA2CA12CA9
SCHEMBL13931858 0.85 CDK2 (0.46) CDK2CDK1CA2CA12CA9
SCHEMBL4460780 0.84 CDK2 (0.65) CDK2CDK1CA2CA12CA9
Gw831091X SCHEMBL4464647 0.83 CDK2 (0.65) CDK2CDK1CA2CA12CA9
SCHEMBL4467252 0.80 CDK2 (0.64) CDK2CDK1CA2CA12CA9

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-7507834-B2 Substituted anilinopyrazoles SMITHKLINE BEECHAN CORPORATION (US) 2009-03-24 US claimed
EP-1597234-B1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-10-08 EP claimed
EP-1597234-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-21 EP claimed
US-20060142284-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2006-06-29 US claimed
EP-1597234-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-11-23 EP claimed
WO-2004076414-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-10 WO claimed
US-7507834-B2 Substituted anilinopyrazoles SMITHKLINE BEECHAN CORPORATION (US) 2009-03-24 US disclosed
US-7507834-B2 Substituted anilinopyrazoles SMITHKLINE BEECHAN CORPORATION (US) 2009-03-24 US disclosed
EP-1597234-B1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-10-08 EP disclosed
EP-1597234-B1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-10-08 EP disclosed
US-20060142284-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2006-06-29 US 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-20060142284-A1 Novel compounds CDK2, CDK3, CDK2AP2 CDK2 1/4885CDK1 6/4885CA2 4207/4885

“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.