SCHEMBL4478847

SCHEMBL4478847

CCc1nn2ncccc2c1C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.41
CDK4 P11802 2/20 0.41
PKM P14618 1/20 0.35
PTGS2 P35354 5/20 0.34
PTGS1 P23219 1/20 0.33
ALOX15 P16050 1/20 0.33
DYRK1A Q13627 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 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
SCHEMBL4479972 0.86 KDR (0.45) KDRCDK4PKMALDH1A1
SCHEMBL4478445 0.80 DYRK1A (0.43) CDK4PTGS2DYRK1AALDH1A1MAPK1
SCHEMBL4479149 0.79 TDP1 (0.42) KDRCDK4DYRK1AALDH1A1
SCHEMBL4479153 0.79 TDP1 (0.42) KDRCDK4DYRK1AALDH1A1
SCHEMBL14754845 0.76 KDR (0.45) KDRCDK4PTGS2PTGS1DYRK1A
SCHEMBL4480362 0.75 GSK3B (0.43) KDRCDK4PTGS2DYRK1AALDH1A1
SCHEMBL4471819 0.75 PTGS2 (0.52) KDRPKMPTGS2PTGS1
SCHEMBL5847756 0.74 MIF (0.48) ALOX15ALDH1A1MAPK1EGFR
SCHEMBL4471815 0.71 ALDH1A1 (0.39) CDK4ALDH1A1
SCHEMBL20669578 0.70 DYRK1A (0.43) CDK4PKMPTGS2DYRK1A

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 KDR 2097/4885CDK4 1/4885PKM 926/4885
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP KDR 4710/4885CDK4 218/4885PKM 517/4885

“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.