SCHEMBL4467252

SCHEMBL4467252

Nc1cccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)[nH]n2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.64
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
CA1 P00915 3/20 0.52
CA12 O43570 2/20 0.52
CDK1 P06493 7/20 0.49
ENPP3 O14638 2/20 0.44
CCNA2 P20248 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
IKBKB O14920 1/20 0.42
CCNT1 O60563 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK9 P50750 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
SCHEMBL13918111 0.87 IKBKB (0.54) CDK2CA2CA9CA1CA12
Gw831090X SCHEMBL4465882 0.87 CDK2 (0.65) CDK2CA2CA9CA1CA12
SCHEMBL13932210 0.87 CDK2 (0.48) CDK2CA2CA9CDK1ENPP3
SCHEMBL4466637 0.87 CDK2 (0.65) CDK2CA2CA9CA1CA12
SCHEMBL4466766 0.86 CDK2 (0.62) CDK2CA2CA9CA1CA12
SCHEMBL4466622 0.84 CDK2 (0.67) CDK2CA2CA9CA1CA12
SCHEMBL4470268 0.84 CDK2 (0.67) CDK2CA2CA9CA1CDK1
SCHEMBL4471046 0.84 MEN1 (0.61) CDK2CA2CA9CA1CA12
SCHEMBL5510994 0.82 CA12 (0.50) CDK2CA2CA9CA1CA12
SCHEMBL4473898 0.82 CDK1 (0.68) CDK2CA2CA9CA1CA12

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
US-20060142284-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2006-06-29 US 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-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-21 EP disclosed
US-20060142284-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2006-06-29 US disclosed
EP-1597234-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-11-23 EP disclosed
WO-2004076414-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-10 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-20060142284-A1 Novel compounds CDK2, CDK3, CDK2AP2 CDK2 1/4885CA2 4207/4885CA9 4727/4885

“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.