SCHEMBL4474975

SCHEMBL4474975

CSc1nccc(-c2cnn3nc(-c4ccc(F)cc4)ccc23)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.61
DYRK1A Q13627 3/20 0.45
MAPK14 Q16539 5/20 0.44
CSNK1D P48730 2/20 0.44
JAK3 P52333 2/20 0.44
CDK2 P24941 5/20 0.44
GSK3B P49841 5/20 0.44
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
CCNA2 P20248 1/20 0.43
CSNK1E P49674 1/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DYRK3 O43781 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
PNCK Q6P2M8 1/20 0.39
HASPIN Q8TF76 1/20 0.39
DYRK2 Q92630 1/20 0.39

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
SCHEMBL4477329 0.80 DYRK1A (0.49) CDK4DYRK1AJAK3CDK2GSK3B
SCHEMBL4475377 0.78 DYRK1A (0.69) CDK4DYRK1ACDK2GSK3BCDK5
SCHEMBL21621304 0.77 L3MBTL1 (0.58) MAPK14CSNK1DJAK3CDK2CDK5
SCHEMBL4468020 0.76 CDK4 (1.00) CDK4MAPK14CDK2GSK3BCLK2
SCHEMBL4488276 0.75 DYRK1A (0.65) CDK4DYRK1AJAK3CDK2GSK3B
SCHEMBL4484482 0.73 CDK4 (0.64) CDK4DYRK1ACDK2GSK3BALDH1A1
SCHEMBL4474278 0.72 DYRK1A (0.47) CDK4DYRK1ACDK2GSK3BDYRK3
SCHEMBL1878087 0.72 MAPK14 (0.48) DYRK1AMAPK14CSNK1DJAK3CDK2
SCHEMBL4463266 0.71 CDK4 (1.00) CDK4CDK2GSK3BCCNA2
SCHEMBL1554892 0.70 CSNK1E (0.50) MAPK14CSNK1DJAK3CDK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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 1/4885DYRK1A 1097/4885MAPK14 597/4885
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP CDK4 218/4885DYRK1A 293/4885MAPK14 274/4885

“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.