SCHEMBL4468432

SCHEMBL4468432

CN1CCN(CCCNc2nccc(-c3cnn4ncccc34)n2)CC1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.80
GSK3B P49841 12/20 0.80
CDK2 P24941 13/20 0.61
KDR P35968 1/20 0.61
DYRK1A Q13627 6/20 0.59
SLC2A1 P11166 2/20 0.57
CCNK O75909 2/20 0.54
AURKA O14965 1/20 0.54
PIM1 P11309 1/20 0.54
CCNA2 P20248 1/20 0.54
CCND3 P30281 1/20 0.54
MTOR P42345 1/20 0.54
CCNA1 P78396 1/20 0.54
CDK12 Q9NYV4 1/20 0.54
MKNK1 Q9BUB5 1/20 0.52
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51
CDK9 P50750 1/20 0.51
CDK19 Q9BWU1 1/20 0.51

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
Gw683109X SCHEMBL4489938 0.89 CDK4 (1.00) CDK4GSK3BCDK2KDRDYRK1A
SCHEMBL4475622 0.81 CDK4 (0.64) CDK4GSK3BCDK2DYRK1ACCNK
SCHEMBL4491573 0.81 CDK4 (0.67) CDK4GSK3BCDK2KDRDYRK1A
SCHEMBL5746864 0.77 CDK4 (0.66) CDK4GSK3BCDK2DYRK1ACCNK
SCHEMBL4483262 0.76 CDK4 (1.00) CDK4GSK3BCDK2KDRDYRK1A
Gw683003X SCHEMBL4473027 0.74 CDK2 (1.00) CDK4GSK3BCDK2DYRK1ACCNK
SCHEMBL13484673 0.73 HRH4 (0.56) CDK4GSK3BKDRMKNK1
SCHEMBL5660356 0.73 CDK4 (0.59) CDK4GSK3BCDK2DYRK1ASLC2A1
Gw781673X SCHEMBL4476277 0.72 CDK2 (1.00) CDK4GSK3BCDK2DYRK1ACCNK
SCHEMBL4480544 0.72 SLC2A1 (1.00) CDK4GSK3BCDK2KDRDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279473-B2 Pyrazolopyridazine derivatives SMITHKLINE BEECHAM CORPORATION (US) 2007-10-09 US claimed
EP-1463730-B1 PYRAZOLOPYRIDAZINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2006-04-19 EP claimed
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
US-20050090507-A1 Pyrazolopyridazine derivatves SMITHKLINE BEECHAM CORPORATION 2005-04-28 US 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
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-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.