SCHEMBL4475622

SCHEMBL4475622

CN(C)CCCNc1nccc(-c2cnn3ncccc23)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.64
GSK3B P49841 10/20 0.64
DYRK1A Q13627 10/20 0.64
CDK2 P24941 11/20 0.63
DYRK3 O43781 1/20 0.59
CLK1 P49759 1/20 0.59
CLK2 P49760 1/20 0.59
CLK3 P49761 1/20 0.59
JAK3 P52333 1/20 0.59
CDK5 Q00535 1/20 0.59
CDK5R1 Q15078 1/20 0.59
PNCK Q6P2M8 1/20 0.59
HASPIN Q8TF76 1/20 0.59
DYRK2 Q92630 1/20 0.59
HIPK2 Q9H2X6 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59
DYRK4 Q9NR20 1/20 0.59
STK39 Q9UEW8 1/20 0.59
WNK2 Q9Y3S1 1/20 0.59

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
SCHEMBL4468432 0.81 CDK4 (0.80) CDK4GSK3BDYRK1ACDK2CCNK
SCHEMBL5746864 0.80 CDK4 (0.66) CDK4GSK3BDYRK1ACDK2DYRK3
Gw683109X SCHEMBL4489938 0.79 CDK4 (1.00) CDK4GSK3BDYRK1ACDK2CCNK
Gw683003X SCHEMBL4473027 0.77 CDK2 (1.00) CDK4GSK3BDYRK1ACDK2CCNK
SCHEMBL5744052 0.77 DYRK1A (0.53) CDK4GSK3BDYRK1ACDK2DYRK3
SCHEMBL4491573 0.76 CDK4 (0.67) CDK4GSK3BDYRK1ACDK2MKNK2
SCHEMBL5660356 0.76 CDK4 (0.59) CDK4GSK3BDYRK1ACDK2CCNK
Gw781673X SCHEMBL4476277 0.76 CDK2 (1.00) CDK4GSK3BDYRK1ACDK2CCNK
SCHEMBL5666599 0.75 CDK4 (0.71) CDK4GSK3BDYRK1ACDK2CCNK
SCHEMBL4484286 0.73 CDK2 (1.00) CDK4GSK3BDYRK1ACDK2CCNK

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 12 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-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
US-7279473-B2 Pyrazolopyridazine derivatives SMITHKLINE BEECHAM CORPORATION (US) 2007-10-09 US disclosed
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-30 US 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 1/4885GSK3B 1622/4885DYRK1A 1097/4885
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP CDK4 218/4885GSK3B 1/4885DYRK1A 293/4885

“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.