SCHEMBL4484482

SCHEMBL4484482

CSc1nccc(-c2cnn3nc(N4CCOCC4)ccc23)n1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.64
GSK3B P49841 8/20 0.64
CDK2 P24941 4/20 0.51
DYRK1A Q13627 7/20 0.42
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
LRRK2 Q5S007 1/20 0.38
ATR Q13535 1/20 0.38
ATRIP Q8WXE1 1/20 0.38

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
Gw708336X SCHEMBL4463359 0.78 CDK4 (1.00) CDK4GSK3BCDK2
SCHEMBL4477329 0.77 DYRK1A (0.49) CDK4GSK3BCDK2DYRK1AALDH1A1
SCHEMBL4480449 0.76 GSK3B (0.70) CDK4GSK3BCDK2DYRK1A
SCHEMBL4475377 0.75 DYRK1A (0.69) CDK4GSK3BCDK2DYRK1A
SCHEMBL5659235 0.75 GSK3B (0.64) CDK4GSK3BCDK2DYRK1A
SCHEMBL28322120 0.73 ALDH1A1 (0.65) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL4488276 0.73 DYRK1A (0.65) CDK4GSK3BCDK2DYRK1A
SCHEMBL5946375 0.73 DYRK1A (0.39) CDK4GSK3BCDK2DYRK1A
SCHEMBL4474975 0.73 CDK4 (0.61) CDK4GSK3BCDK2DYRK1AALDH1A1
SCHEMBL4476755 0.68 CDK4 (1.00) CDK4GSK3BCDK2DYRK1A

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 CDK4 1/4885GSK3B 1622/4885CDK2 8/4885
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP CDK4 218/4885GSK3B 1/4885CDK2 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.