SCHEMBL697146

SCHEMBL697146

C[C@@H]1COCCN1c1nc(-c2ccncc2)cc(=O)n1C

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.69
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 3/20 0.53
MTOR P42345 1/20 0.51
CHEK1 O14757 1/20 0.49
ATR Q13535 1/20 0.49
PDCD1 Q15116 1/20 0.49
ATRIP Q8WXE1 1/20 0.49
CD274 Q9NZQ7 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
SCHEMBL13711194 1.00 GSK3B (0.69) GSK3BCYP1A2CYP2D6MTORCHEK1
SCHEMBL4789315 1.00 GSK3B (0.69) GSK3BCYP1A2CYP2D6MTORCHEK1
SCHEMBL13711247 0.87 GSK3B (0.52) GSK3BCYP1A2CYP2D6MTOR
SCHEMBL13711262 0.87 GSK3B (0.53) GSK3BCYP1A2CYP2D6MTORATR
SCHEMBL8227270 0.86 GSK3B (0.56) GSK3BCYP1A2CYP2D6
SCHEMBL13711206 0.86 GSK3B (0.56) GSK3BCYP1A2CYP2D6
SCHEMBL8231807 0.86 GSK3B (0.51) GSK3BCYP1A2CYP2D6MTORCHEK1
SCHEMBL13711200 0.86 GSK3B (0.56) GSK3BCYP1A2CYP2D6
SCHEMBL9943990 0.86 GSK3B (0.70) GSK3BCYP1A2CYP2D6
SCHEMBL695787 0.86 GSK3B (0.70) GSK3BCYP1A2CYP2D6

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 16 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
CN-101400668-A 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors MITSUBISHI PHARMA CORP (JP) 2009-04-01 CN claimed
EP-2001863-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-17 EP claimed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 WO 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
CN-101400668-A 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors MITSUBISHI PHARMA CORP (JP) 2009-04-01 CN 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

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 140/4885CYP1A2 2460/4885CYP2D6 2510/4885

“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.