SCHEMBL4471046

SCHEMBL4471046

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPT P10636 3/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPK1 P28482 1/20 0.61
CDK2 P24941 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
CA2 P00918 5/20 0.49
CA1 P00915 4/20 0.49
CA9 Q16790 4/20 0.49
CA12 O43570 3/20 0.49
CA5A P35218 2/20 0.49
CA5B Q9Y2D0 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
PLK1 P53350 1/20 0.47
CCNA2 P20248 1/20 0.46
IDO1 P14902 1/20 0.45
CDK1 P06493 1/20 0.45
LMNA P02545 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
SCHEMBL4460780 0.87 CDK2 (0.65) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL4467252 0.84 CDK2 (0.64) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL13918111 0.83 IKBKB (0.54) MEN1KMT2AMAPTCDK2CA2
SCHEMBL4466637 0.83 CDK2 (0.65) MEN1KMT2AMAPTKDM4EMAPK1
Gw831090X SCHEMBL4465882 0.83 CDK2 (0.65) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL13932210 0.83 CDK2 (0.48) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL4466622 0.80 CDK2 (0.67) KDM4EMAPK1CDK2CA2CA1
SCHEMBL4470268 0.80 CDK2 (0.67) MAPTCDK2SMN1; SMN2CA2CA1
SCHEMBL5510994 0.79 CA12 (0.50) MEN1KMT2AMAPTKDM4ECDK2
SCHEMBL4473898 0.78 CDK1 (0.68) MEN1KMT2AMAPTCDK2CA2

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 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 MEN1 2277/4885KMT2A 1760/4885MAPT 3157/4885

“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.