SCHEMBL4479580

SCHEMBL4479580

CC(=O)c1cnn2nc(OC(C)C)ccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.43
GSK3B P49841 2/20 0.43
PTGS2 P35354 1/20 0.38
CDK2 P24941 1/20 0.37
ACACB O00763 9/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
KCNH2 Q12809 1/20 0.32
ACACA Q13085 4/20 0.32
DYRK1A Q13627 1/20 0.32
BRD4 O60885 1/20 0.32
BRPF1 P55201 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL4468783 0.81 CDK4 (0.37) CDK4GSK3BPTGS2CDK2SMN1; SMN2
SCHEMBL4473501 0.76 MAPK1 (0.38) MAPK1SMN1; SMN2ALDH1A1BRD4
SCHEMBL31400306 0.73 POLB (0.45) CDK4GSK3BPTGS2CDK2ALDH1A1
SCHEMBL20839878 0.72 KMT2A (0.45) CDK4GSK3BCDK2SMN1; SMN2ALDH1A1
SCHEMBL4488831 0.68 MAPK1 (0.42) MAPK1SMN1; SMN2ALDH1A1JAK3DYRK1A
SCHEMBL4801800 0.67 TUBB4A (0.46) SMN1; SMN2
SCHEMBL4474522 0.65 DYRK1A (0.43) CDK4GSK3BCDK2SMN1; SMN2ALDH1A1
SCHEMBL4474513 0.65 DYRK1A (0.43) CDK4GSK3BCDK2SMN1; SMN2ALDH1A1
SCHEMBL14480387 0.65 ACACB (0.48) ACACBALDH1A1ACACA
SCHEMBL22390874 0.65 ALOX15 (0.39) ACACBSMN1; SMN2ALDH1A1ACACA

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 1622/4885PTGS2 2321/4885
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP CDK4 218/4885GSK3B 1/4885PTGS2 4182/4885

“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.