SCHEMBL4480449

SCHEMBL4480449

CN(C)c1ccc(Nc2nccc(-c3cnn4nc(N5CCOCC5)ccc34)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.70
CDK4 P11802 14/20 0.70
CDK2 P24941 13/20 0.70
KDR P35968 1/20 0.51
PLK4 O00444 1/20 0.51
SMG1 Q96Q15 2/20 0.46
CCNK O75909 1/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
CDK9 P50750 1/20 0.46
CDK19 Q9BWU1 1/20 0.46
DYRK1A Q13627 1/20 0.46

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
SCHEMBL4484150 0.83 CDK4 (1.00) GSK3BCDK4CDK2
Gw708336X SCHEMBL4463359 0.79 CDK4 (1.00) GSK3BCDK4CDK2KDR
SCHEMBL5659235 0.79 GSK3B (0.64) GSK3BCDK4CDK2KDRSMG1
SCHEMBL4484482 0.76 CDK4 (0.64) GSK3BCDK4CDK2DYRK1A
SCHEMBL4388675 0.76 JAK2 (0.73) CDK2PLK4CDK9
SCHEMBL2076215 0.72 CDK2 (0.68) GSK3BCDK4CDK2KDRPLK4
SCHEMBL4489702 0.70 SLC2A1 (0.80) GSK3BCDK4CDK2KDRCCNK
SCHEMBL4485034 0.70 GSK3B (0.82) GSK3BCDK4CDK2KDRCCNK
SCHEMBL4476755 0.70 CDK4 (1.00) GSK3BCDK4CDK2KDRDYRK1A
SCHEMBL11919160 0.70 KDR (0.48) GSK3BCDK4CDK2KDRPLK4

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
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
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
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
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 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-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885CDK4 218/4885CDK2 91/4885

“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.