SCHEMBL698047

SCHEMBL698047

C[C@H]1COCCN1c1nc(-c2ccncc2F)cc(=O)n1C

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.58
CYP1A2 P05177 4/20 0.58
CYP2D6 P10635 4/20 0.58
ATR Q13535 1/20 0.47
ATRIP Q8WXE1 1/20 0.47

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
SCHEMBL697132 1.00 GSK3B (0.58) GSK3BCYP1A2CYP2D6ATRATRIP
SCHEMBL2602777 0.94 GSK3B (0.56) GSK3BCYP1A2CYP2D6
SCHEMBL2114675 0.91 GSK3B (0.57) GSK3BCYP1A2CYP2D6
SCHEMBL2117042 0.91 GSK3B (0.57) GSK3BCYP1A2CYP2D6
SCHEMBL8232099 0.89 GSK3B (0.55) GSK3BCYP1A2CYP2D6ATR
SCHEMBL8234276 0.88 GSK3B (0.56) GSK3BCYP1A2CYP2D6
SCHEMBL698188 0.87 GSK3B (0.55) GSK3BCYP1A2CYP2D6
SCHEMBL696621 0.87 GSK3B (0.55) GSK3BCYP1A2CYP2D6ATRATRIP
SCHEMBL697778 0.87 GSK3B (0.55) GSK3BCYP1A2CYP2D6
SCHEMBL8232562 0.87 GSK3B (0.55) 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 13 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
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
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.