SCHEMBL4466637

SCHEMBL4466637

NS(=O)(=O)c1ccc(Nc2cc(-c3cccc(Br)c3)n[nH]2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.65
CDK1 P06493 6/20 0.50
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
PTGS2 P35354 3/20 0.44
EGFR P00533 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
IKBKB O14920 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL4467252 0.87 CDK2 (0.64) CDK2CDK1MEN1MAPTKMT2A
SCHEMBL4476707 0.86 CDK2 (0.62) CDK2CDK1CA12CA1CA2
SCHEMBL13918111 0.86 IKBKB (0.54) CDK2CDK1MEN1MAPTKMT2A
Gw831090X SCHEMBL4465882 0.86 CDK2 (0.65) CDK2CDK1MEN1MAPTKMT2A
SCHEMBL13932210 0.86 CDK2 (0.48) CDK2CDK1MEN1MAPTKMT2A
SCHEMBL4466622 0.83 CDK2 (0.67) CDK2CDK1HTTCA12CA1
SCHEMBL4470268 0.83 CDK2 (0.67) CDK2CDK1MAPTCA1CA2
SCHEMBL4471046 0.83 MEN1 (0.61) CDK2CDK1MEN1MAPTKMT2A
SCHEMBL5510994 0.81 CA12 (0.50) CDK2CDK1MEN1MAPTKMT2A
SCHEMBL4473898 0.81 CDK1 (0.68) CDK2CDK1MEN1MAPTKMT2A

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 1/4885CDK1 6/4885MEN1 2277/4885

“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.