SCHEMBL4479599

SCHEMBL4479599

Cc1nn2ncccc2c1-c1ccnc(NC2CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 1.00
KDR P35968 3/20 0.74
GSK3B P49841 11/20 0.63
CDK2 P24941 3/20 0.63
DYRK1A Q13627 1/20 0.60
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
CCND1 P24385 1/20 0.45
CCND3 P30281 1/20 0.45
CDK6 Q00534 1/20 0.45

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
Gw683768X SCHEMBL4467568 0.85 CDK4 (1.00) CDK4KDRGSK3BCDK2DYRK1A
SCHEMBL4484731 0.82 KDR (1.00) CDK4KDRGSK3BCDK2DYRK1A
SCHEMBL4471187 0.77 CDK4 (1.00) CDK4KDRGSK3BCDK2DYRK1A
SCHEMBL4468893 0.74 CDK4 (1.00) CDK4KDRGSK3BCDK2DYRK1A
SCHEMBL5093817 0.73 CDK4 (0.89) CDK4GSK3BCDK2DYRK1A
SCHEMBL5093824 0.73 CDK4 (0.89) CDK4GSK3BCDK2DYRK1A
SCHEMBL5208591 0.70 CDK4 (0.54) CDK4KDRGSK3BCDK2CCNB2
SCHEMBL3205166 0.70 PDE4B (0.59) CDK4KDRGSK3BCDK2CCNB2
SCHEMBL4489910 0.70 GSK3B (1.00) CDK4KDRGSK3BCDK2DYRK1A
SCHEMBL12897963 0.69 MAPK9 (0.73) CDK4KDRGSK3BCDK2CCNB2

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 20 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-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-30 US claimed
EP-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP claimed
US-20050090507-A1 Pyrazolopyridazine derivatves SMITHKLINE BEECHAM CORPORATION 2005-04-28 US claimed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO claimed
US-7582630-B2 Pyradazine compounds as GSK-3 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-01 US disclosed
US-7582630-B2 Pyradazine compounds as GSK-3 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-01 US disclosed
US-7582630-B2 Pyradazine compounds as GSK-3 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-01 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
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-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-30 US disclosed
EP-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 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-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO 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 (2 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 CDK4 1/4885KDR 2097/4885GSK3B 1622/4885
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP CDK4 218/4885KDR 4710/4885GSK3B 1/4885

“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.