SCHEMBL1654261

SCHEMBL1654261

COc1cccc(OC)c1C1CN(c2nc(-c3ccncn3)cc(=O)n2C)CCN1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.82
CYP2D6 P10635 2/20 0.79

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
SCHEMBL1652728 0.94 GSK3B (0.82) GSK3BCYP2D6
SCHEMBL1673727 0.90 GSK3B (1.00) GSK3BCYP2D6
SCHEMBL1673763 0.88 GSK3B (0.81) GSK3BCYP2D6
SCHEMBL1651267 0.88 GSK3B (1.00) GSK3BCYP2D6
SCHEMBL1673804 0.88 GSK3B (1.00) GSK3BCYP2D6
SCHEMBL1673719 0.88 GSK3B (1.00) GSK3BCYP2D6
SCHEMBL1651301 0.87 GSK3B (1.00) GSK3BCYP2D6
SCHEMBL1673609 0.87 GSK3B (1.00) GSK3BCYP2D6
SCHEMBL1652779 0.87 GSK3B (0.78) GSK3BCYP2D6
SCHEMBL1651274 0.86 GSK3B (0.82) GSK3BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4679509-B2 2011-04-27 JP claimed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US claimed
US-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives SANOFI (FR) 2006-11-09 US claimed
JP-2006521370-A 2006-09-21 JP claimed
EP-1608630-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2005-12-28 EP claimed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO claimed
US-11878018-B1 Phosphorylation of Syntaxin 17 by TBK1 controls autophagy initiation UNM RAINFOREST INNOVATIONS (US) 2024-01-23 US disclosed
US-20200262916-A1 Mammalian Atg8 Proteins Control Autolysosomal Biogenesis Through SNARES STC UNM (US) 2020-08-20 US disclosed
EP-2308854-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Sanofi-Aventis (FR) 2011-04-13 EP disclosed
EP-2305651-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2011-04-06 EP disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives SANOFI (FR) 2006-11-09 US disclosed
EP-1608630-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2005-12-28 EP disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 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 (3 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-20200262916-A1 Mammalian Atg8 Proteins Control Autolysosomal Biogenesis Through SNARES ATG7, MLST8, STX18 GSK3B 3124/4885CYP2D6 4711/4885
US-11878018-B1 Phosphorylation of Syntaxin 17 by TBK1 controls autophagy initiation STXBP1, TBK1, STX18 GSK3B 152/4885CYP2D6 4836/4885
US-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives PSEN1, PSEN2, MAPT GSK3B 265/4885CYP2D6 3086/4885

“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.