SCHEMBL4474413

SCHEMBL4474413

FC(F)(F)c1cc(Nc2nccc(-c3cnn4ncccc34)n2)cc(C(F)(F)F)c1

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.86
CDK4 P11802 16/20 0.86
GSK3B P49841 11/20 0.72
DYRK1A Q13627 4/20 0.70
CCNK O75909 1/20 0.62
CCNC P24863 1/20 0.62
CDK8 P49336 1/20 0.62
CDK9 P50750 1/20 0.62
CDK19 Q9BWU1 1/20 0.62

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
SCHEMBL4487812 0.93 CDK2 (1.00) CDK2CDK4GSK3BDYRK1ACCNK
SCHEMBL4479694 0.92 CDK2 (0.77) CDK2CDK4GSK3BDYRK1A
SCHEMBL4475408 0.90 CDK2 (1.00) CDK2CDK4GSK3BDYRK1A
SCHEMBL4482264 0.89 CDK2 (0.73) CDK2CDK4GSK3BDYRK1A
SCHEMBL4473007 0.85 CDK2 (1.00) CDK2CDK4GSK3BDYRK1ACCNK
SCHEMBL4488333 0.84 CDK2 (1.00) CDK2CDK4GSK3BDYRK1ACCNK
SCHEMBL4480496 0.83 CDK2 (1.00) CDK2CDK4GSK3BDYRK1ACCNK
SCHEMBL4484286 0.83 CDK2 (1.00) CDK2CDK4GSK3BDYRK1ACCNK
SCHEMBL4475712 0.83 CDK2 (1.00) CDK2CDK4GSK3BDYRK1ACCNK
SCHEMBL4483102 0.82 CDK2 (0.81) 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-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
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-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
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

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 CDK2 91/4885CDK4 218/4885GSK3B 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.