SCHEMBL697113

SCHEMBL697113

Cn1c(N2CCOC[C@@H]2CF)nc(-c2ccncc2F)cc1=O

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.55
CYP1A2 P05177 6/20 0.55
CYP2D6 P10635 6/20 0.55
LATS1 O95835 1/20 0.40
LATS2 Q9NRM7 1/20 0.40
CHEK1 O14757 1/20 0.39
ATR Q13535 1/20 0.39
PDCD1 Q15116 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL697682 1.00 GSK3B (0.55) GSK3BCYP1A2CYP2D6LATS1LATS2
SCHEMBL696621 1.00 GSK3B (0.55) GSK3BCYP1A2CYP2D6LATS1LATS2
SCHEMBL8232562 0.93 GSK3B (0.55) GSK3BCYP1A2CYP2D6LATS1LATS2
SCHEMBL697778 0.93 GSK3B (0.55) GSK3BCYP1A2CYP2D6LATS1LATS2
SCHEMBL8232479 0.91 GSK3B (0.54) GSK3BCYP1A2CYP2D6LATS1LATS2
SCHEMBL698542 0.90 GSK3B (0.53) GSK3BCYP1A2CYP2D6LATS1LATS2
SCHEMBL13711197 0.90 GSK3B (0.53) GSK3BCYP1A2CYP2D6LATS1LATS2
SCHEMBL697132 0.87 GSK3B (0.58) GSK3BCYP1A2CYP2D6ATRATRIP
SCHEMBL698047 0.87 GSK3B (0.58) GSK3BCYP1A2CYP2D6ATRATRIP
SCHEMBL2117349 0.86 GSK3B (0.54) GSK3BCYP1A2CYP2D6LATS1LATS2

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 9 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
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
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
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.