SCHEMBL83040

SCHEMBL83040

Cn1cnc(-c2ccncc2F)cc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
GABRA1 P14867 1/20 0.41
LATS1 O95835 4/20 0.41
LATS2 Q9NRM7 2/20 0.41
CDC7 O00311 2/20 0.40
DHODH Q02127 1/20 0.38
NUDT1 P36639 1/20 0.37
AOC3 Q16853 1/20 0.37
CYP3A4 P08684 1/20 0.37
TGFBR1 P36897 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL32667263 0.79 MAP4K1 (0.39) CYP1A2CYP2D6CYP3A4
SCHEMBL83123 0.75 GSK3B (0.50) GSK3BCYP1A2CYP2D6LATS1LATS2
SCHEMBL81844 0.75 GSK3B (0.50) GSK3BCYP1A2CYP2D6LATS1LATS2
SCHEMBL4711022 0.74 KDM5B (0.46) GSK3BCDC7ROCK2MAP4K4PRKACA
SCHEMBL14299991 0.73 GSK3B (0.48) GSK3BCYP1A2CYP2D6LATS1LATS2
SCHEMBL12207259 0.73 GSK3B (0.52) GSK3BCYP1A2CYP2D6LATS1LATS2
SCHEMBL4759558 0.71 GSK3B (0.55) GSK3BCYP2D6
SCHEMBL8268075 0.70 GSK3B (0.63) GSK3BCYP1A2CYP2D6LATS1
SCHEMBL25324047 0.69 ATR (0.42) LATS1LATS2NUDT1MKNK1MKNK2
SCHEMBL30509488 0.69 ATR (0.42) LATS1LATS2NUDT1MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129377-B2 6-(pyridinyl)-4-pyrimidone derivates as tau protein kinase 1 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2009-09-24 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
EP-1805164-A2 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Pharma Corporation (JP) 2007-07-11 EP disclosed
WO-2006036015-A2 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2006-04-06 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-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MAPT, TTBK1, PSEN1 GSK3B 89/4885CYP1A2 1897/4885CYP2D6 1266/4885

“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.