SCHEMBL4477329

SCHEMBL4477329

CSc1nccc(-c2cnn3nc(O)ccc23)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.49
DYRK3 O43781 2/20 0.42
DYRK2 Q92630 2/20 0.42
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
JAK3 P52333 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
PNCK Q6P2M8 1/20 0.42
HASPIN Q8TF76 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
DYRK4 Q9NR20 1/20 0.42
STK39 Q9UEW8 1/20 0.42
WNK2 Q9Y3S1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
GSK3B P49841 10/20 0.42
CDK4 P11802 7/20 0.42

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
SCHEMBL4475377 0.82 DYRK1A (0.69) DYRK1ADYRK3DYRK2CLK1CLK2
SCHEMBL4488276 0.80 DYRK1A (0.65) DYRK1ADYRK3DYRK2CLK1CLK2
SCHEMBL4474975 0.80 CDK4 (0.61) DYRK1ADYRK3DYRK2CLK1CLK2
SCHEMBL4484482 0.77 CDK4 (0.64) DYRK1AGSK3BCDK4LMNACDK2
SCHEMBL4474278 0.75 DYRK1A (0.47) DYRK1ADYRK3DYRK2CLK1CLK2
SCHEMBL5946375 0.73 DYRK1A (0.39) DYRK1AGSK3BCDK4CDK2
SCHEMBL4476267 0.73 CDK4 (0.72) DYRK1AGSK3BCDK4CDK2
SCHEMBL14252701 0.71 DYRK1A (0.66) DYRK1ADYRK3DYRK2CLK1CLK2
SCHEMBL5316659 0.67 LMNA (0.44) DYRK1ADYRK3DYRK2CDK5CDK5R1
SCHEMBL23249842 0.66 MAPK1 (0.46) DYRK1ADYRK3DYRK2JAK3CDK5

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 9 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
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-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 DYRK1A 1097/4885DYRK3 1473/4885DYRK2 1372/4885
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP DYRK1A 293/4885DYRK3 183/4885DYRK2 318/4885

“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.