SCHEMBL4466622

SCHEMBL4466622

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.67
CDK1 P06493 4/20 0.67
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.44
JAK2 O60674 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4473898 0.87 CDK1 (0.68) CDK2CDK1CA12CA1CA2
SCHEMBL4467252 0.84 CDK2 (0.64) CDK2CDK1CA12CA1CA2
SCHEMBL13918111 0.83 IKBKB (0.54) CDK2CDK1CA12CA1CA2
SCHEMBL13932210 0.83 CDK2 (0.48) CDK2CDK1CA2CA9HTT
SCHEMBL4466637 0.83 CDK2 (0.65) CDK2CDK1CA12CA1CA2
Gw831090X SCHEMBL4465882 0.83 CDK2 (0.65) CDK2CDK1CA12CA1CA2
SCHEMBL4470268 0.82 CDK2 (0.67) CDK2CDK1CA1CA2CA9
SCHEMBL5510994 0.81 CA12 (0.50) CDK2CDK1CA12CA1CA2
SCHEMBL4471046 0.80 MEN1 (0.61) CDK2CDK1CA12CA1CA2
SCHEMBL4466766 0.77 CDK2 (0.62) CDK2CDK1CA12CA1CA2

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 14 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-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 1/4885CDK1 6/4885CA12 4816/4885

“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.