SCHEMBL696974

SCHEMBL696974

C[C@@H]1CN(c2cnccn2)CCN1c1nc(-c2ccncn2)cc(=O)n1C

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.80
CYP2D6 P10635 11/20 0.80
CYP1A2 P05177 8/20 0.71
CYP3A4 P08684 2/20 0.69

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
SCHEMBL696868 0.89 GSK3B (1.00) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL696689 0.89 GSK3B (0.69) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL698263 0.87 GSK3B (1.00) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL696498 0.87 GSK3B (1.00) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL697856 0.86 GSK3B (1.00) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL696730 0.86 GSK3B (0.60) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL13711466 0.85 GSK3B (1.00) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL696011 0.85 GSK3B (1.00) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL8235317 0.84 GSK3B (1.00) GSK3BCYP2D6CYP1A2
SCHEMBL13711436 0.84 GSK3B (1.00) GSK3BCYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2001863-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-17 EP disclosed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 WO 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.