SCHEMBL5658403

SCHEMBL5658403

CS(=O)(=O)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.72
CDK4 P11802 15/20 0.72
GSK3B P49841 14/20 0.72
DYRK1A Q13627 3/20 0.72
CCNK O75909 1/20 0.70
CCNC P24863 1/20 0.70
CDK8 P49336 1/20 0.70
CDK9 P50750 1/20 0.70
CDK19 Q9BWU1 1/20 0.70
SLC2A1 P11166 1/20 0.67
KDR P35968 1/20 0.64

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
SCHEMBL5658376 0.89 SLC2A1 (0.80) CDK2CDK4GSK3BDYRK1ACCNK
SCHEMBL4484286 0.84 CDK2 (1.00) CDK2CDK4GSK3BDYRK1ACCNK
SCHEMBL4486038 0.83 CDK2 (0.81) CDK2CDK4GSK3BDYRK1ACCNK
SCHEMBL4483102 0.83 CDK2 (0.81) CDK2CDK4GSK3BDYRK1ACCNK
SCHEMBL4484317 0.83 CDK2 (1.00) CDK2CDK4GSK3BDYRK1ACCNK
Gw805758X SCHEMBL31244858 0.83 CDK2 (1.00) CDK2CDK4GSK3BDYRK1ACCNK
Gw805758X SCHEMBL26627179 0.83 CDK2 (1.00) CDK2CDK4GSK3BDYRK1ACCNK
SCHEMBL4473459 0.83 CDK2 (1.00) CDK2CDK4GSK3BDYRK1ACCNK
SCHEMBL4478725 0.83 CDK2 (0.82) CDK2CDK4GSK3BDYRK1ACCNK
SCHEMBL4479597 0.82 CDK2 (1.00) CDK2CDK4GSK3BDYRK1ACCNK

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279473-B2 Pyrazolopyridazine derivatives SMITHKLINE BEECHAM CORPORATION (US) 2007-10-09 US claimed
EP-1463730-B1 PYRAZOLOPYRIDAZINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2006-04-19 EP claimed
US-20050090507-A1 Pyrazolopyridazine derivatves SMITHKLINE BEECHAM CORPORATION 2005-04-28 US claimed
US-7279473-B2 Pyrazolopyridazine derivatives SMITHKLINE BEECHAM CORPORATION (US) 2007-10-09 US disclosed
US-7279473-B2 Pyrazolopyridazine derivatives SMITHKLINE BEECHAM CORPORATION (US) 2007-10-09 US disclosed
US-7279473-B2 Pyrazolopyridazine derivatives SMITHKLINE BEECHAM CORPORATION (US) 2007-10-09 US disclosed
EP-1463730-B1 PYRAZOLOPYRIDAZINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2006-04-19 EP disclosed
US-20050090507-A1 Pyrazolopyridazine derivatves SMITHKLINE BEECHAM CORPORATION 2005-04-28 US disclosed
EP-1463730-A1 PYRAZOLOPARIDAZINE DERIVATIVES SmithKline Beecham Corporation (US) 2004-10-06 EP disclosed
WO-2003051886-A1 PYRAZOLOPYRIDAZINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 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-20050090507-A1 Pyrazolopyridazine derivatves CDK4, CDK3, CDK8 CDK2 8/4885CDK4 1/4885GSK3B 1622/4885

“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.