SCHEMBL4473905

SCHEMBL4473905

NS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3NS(=O)(=O)c3ccccc3)n[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50
CA12 O43570 3/20 0.50
CDK1 P06493 1/20 0.50
CDK2 P24941 1/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
NAT1 P18440 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
CASP3 P42574 1/20 0.41
GALK1 P51570 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
SCHEMBL4473898 0.82 CDK1 (0.68) CA1CA2CA9CA12CDK1
SCHEMBL13918111 0.80 IKBKB (0.54) CA1CA2CA9CA12CDK1
SCHEMBL5510994 0.78 CA12 (0.50) CA1CA2CA9CA12CDK1
SCHEMBL4466766 0.72 CDK2 (0.62) CA1CA2CA9CA12CDK1
SCHEMBL4467252 0.71 CDK2 (0.64) CA1CA2CA9CA12CDK1
SCHEMBL4475239 0.71 CDK2 (0.62) CA1CA2CA9CA12CDK1
SCHEMBL4476707 0.71 CDK2 (0.62) CA1CA2CA9CA12CDK1
SCHEMBL13931766 0.71 CDK2 (0.48) CA1CA2CA9CA12CDK1
SCHEMBL4466637 0.70 CDK2 (0.65) CA1CA2CA9CA12CDK1
SCHEMBL13932210 0.70 CDK2 (0.48) CA2CA9CDK1CDK2MEN1

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 6 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
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 CA1 4733/4885CA2 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.