SCHEMBL4460780

SCHEMBL4460780

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.65
CA1 P00915 10/20 0.54
CA2 P00918 10/20 0.54
CA9 Q16790 8/20 0.54
CA12 O43570 7/20 0.54
CA14 Q9ULX7 5/20 0.54
CA4 P22748 3/20 0.50
CA5A P35218 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CA7 P43166 2/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL4471046 0.87 MEN1 (0.61) CDK2CA1CA2CA9CA12
SCHEMBL4466766 0.85 CDK2 (0.62) CDK2CA1CA2CA9CA12
SCHEMBL13931766 0.84 CDK2 (0.48) CDK2CA1CA2CA9CA12
SCHEMBL4475239 0.84 CDK2 (0.62) CDK2CA1CA2CA9CA12
SCHEMBL4476707 0.84 CDK2 (0.62) CDK2CA1CA2CA9CA12
SCHEMBL5510994 0.84 CA12 (0.50) CDK2CA1CA2CA9CA12
SCHEMBL13918111 0.84 IKBKB (0.54) CDK2CA1CA2CA9CA12
SCHEMBL13931858 0.82 CDK2 (0.46) CDK2CA1CA2CA9CA12
Gw831091X SCHEMBL4464647 0.78 CDK2 (0.65) CDK2CA1CA2CA9CA12
SCHEMBL27580667 0.77 CA2 (0.78) CDK2CA1CA2CA9CA12

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 12 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
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 1/4885CA1 4733/4885CA2 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.