SCHEMBL4489702

SCHEMBL4489702

Clc1cc(Nc2nccc(-c3cnn4ncccc34)n2)ccc1N1CCOCC1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.80
CDK2 P24941 18/20 0.72
CDK4 P11802 17/20 0.72
GSK3B P49841 13/20 0.72
CCNK O75909 2/20 0.63
AURKA O14965 1/20 0.63
PIM1 P11309 1/20 0.63
CCNA2 P20248 1/20 0.63
CCND3 P30281 1/20 0.63
MTOR P42345 1/20 0.63
CCNA1 P78396 1/20 0.63
CDK12 Q9NYV4 1/20 0.63
KDR P35968 1/20 0.61
DYRK1A Q13627 5/20 0.60
CCNC P24863 1/20 0.59
CDK8 P49336 1/20 0.59
CDK9 P50750 1/20 0.59
CDK19 Q9BWU1 1/20 0.59

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
SCHEMBL4480544 0.89 SLC2A1 (1.00) SLC2A1CDK2CDK4GSK3BCCNK
SCHEMBL4482276 0.84 CDK2 (1.00) SLC2A1CDK2CDK4GSK3BCCNK
SCHEMBL4478489 0.80 SLC2A1 (0.83) SLC2A1CDK2CDK4GSK3BCCNK
SCHEMBL4486038 0.79 CDK2 (0.81) CDK2CDK4GSK3BCCNKKDR
Gw806290X SCHEMBL4486928 0.79 CDK2 (1.00) CDK2CDK4GSK3BCCNKDYRK1A
SCHEMBL4480496 0.78 CDK2 (1.00) CDK2CDK4GSK3BCCNKDYRK1A
SCHEMBL4475712 0.77 CDK2 (1.00) SLC2A1CDK2CDK4GSK3BCCNK
SCHEMBL4471818 0.77 CDK2 (1.00) CDK2CDK4GSK3BCCNKDYRK1A
SCHEMBL17214696 0.77 CDK2 (0.81) SLC2A1CDK2CDK4GSK3BCCNK
Gw779439X SCHEMBL4489340 0.77 CDK2 (1.00) SLC2A1CDK2CDK4GSK3BCCNK

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 SLC2A1 4484/4885CDK2 8/4885CDK4 1/4885
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP SLC2A1 4297/4885CDK2 91/4885CDK4 218/4885

“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.