SCHEMBL697383

SCHEMBL697383

COc1cccc2c1CC[C@H]1[C@H]2OCCN1c1nc(-c2ccncn2)cc(=O)n1C

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.62
CYP2D6 P10635 11/20 0.62
CYP1A2 P05177 6/20 0.62
CYP3A4 P08684 1/20 0.50
CSNK1A1 P48729 1/20 0.49
GSK3A P49840 1/20 0.49

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
SCHEMBL696612 1.00 GSK3B (0.62) GSK3BCYP2D6CYP1A2CYP3A4CSNK1A1
SCHEMBL8231806 1.00 GSK3B (0.62) GSK3BCYP2D6CYP1A2CYP3A4CSNK1A1
SCHEMBL8226979 0.90 GSK3B (0.52) GSK3BCYP2D6CYP1A2
SCHEMBL695302 0.90 GSK3B (0.52) GSK3BCYP2D6CYP1A2
SCHEMBL698033 0.90 GSK3B (0.52) GSK3BCYP2D6CYP1A2
SCHEMBL698034 0.90 GSK3B (0.52) GSK3BCYP2D6CYP1A2
SCHEMBL698349 0.87 GSK3B (0.59) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL698294 0.87 GSK3B (0.59) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL8234286 0.87 GSK3B (0.59) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL696047 0.87 GSK3B (0.59) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US claimed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 EP claimed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US claimed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 EP disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 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 (1 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-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MAPT, PRMT1, PSEN1 GSK3B 140/4885CYP2D6 2510/4885CYP1A2 2460/4885

“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.