SCHEMBL4473898

SCHEMBL4473898

NS(=O)(=O)c1ccc(Nc2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)n[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.68
CDK2 P24941 2/20 0.68
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
PFKFB3 Q16875 1/20 0.47
MAP2K4 P45985 1/20 0.46
TTK P33981 1/20 0.46
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
KDM1A O60341 1/20 0.45
MAPT P10636 1/20 0.45
MMP2 P08253 1/20 0.45

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
SCHEMBL4466622 0.87 CDK2 (0.67) CDK1CDK2CA1CA2CA12
SCHEMBL13918111 0.86 IKBKB (0.54) CDK1CDK2CA1CA2CA12
SCHEMBL5510994 0.84 CA12 (0.50) CDK1CDK2CA1CA2CA12
SCHEMBL4467252 0.82 CDK2 (0.64) CDK1CDK2CA1CA2CA12
SCHEMBL4473905 0.82 CA1 (0.50) CDK1CDK2CA1CA2CA12
SCHEMBL13932210 0.81 CDK2 (0.48) CDK1CDK2CA2CA9HTT
SCHEMBL4466637 0.81 CDK2 (0.65) CDK1CDK2CA1CA2CA12
Gw831090X SCHEMBL4465882 0.81 CDK2 (0.65) CDK1CDK2CA1CA2CA12
SCHEMBL4470268 0.78 CDK2 (0.67) CDK1CDK2CA1CA2CA9
SCHEMBL4471046 0.78 MEN1 (0.61) CDK1CDK2CA1CA2CA12

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 CDK1 6/4885CDK2 1/4885CA1 4733/4885

“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.