SCHEMBL1831028

SCHEMBL1831028

CC1CCCCn2c1nc(-c1ccncc1)cc2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.46
LATS1 O95835 1/20 0.45
CDC7 O00311 1/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
CDK1 P06493 1/20 0.43
CSF1R P07333 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
CDK2 P24941 1/20 0.43
MARK3 P27448 1/20 0.43
MAPK1 P28482 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3A P49840 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
IRAK1 P51617 1/20 0.43

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
SCHEMBL2064259 0.86 GSK3B (0.43) GSK3BLATS1CDC7DYRK3ROCK2
SCHEMBL1832332 0.85 GSK3B (0.47) GSK3BLATS1CDC7DYRK3ROCK2
SCHEMBL1834667 0.84 GSK3B (0.51) GSK3BCYP1A2CYP2D6
SCHEMBL4380859 0.82 GSK3B (0.40) GSK3BLATS1CDC7DYRK3ROCK2
SCHEMBL2065131 0.82 PRKCD (0.42) GSK3BLATS1CDC7DYRK3ROCK2
SCHEMBL2065106 0.79 GSK3B (0.38) GSK3BLATS1CDC7DYRK3ROCK2
SCHEMBL2065267 0.78 GSK3B (0.42) GSK3BCDC7DYRK3ROCK2MAP4K4
SCHEMBL3375649 0.77 GSK3B (0.40) GSK3BCDC7DYRK3ROCK2MAP4K4
SCHEMBL2065101 0.75 GSK3B (0.39) GSK3BCDC7ROCK2MAP4K4PIM1
SCHEMBL4386108 0.74 RAB9A (0.41) GSK3BLATS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011525908-A 2011-09-29 JP claimed
EP-2321315-A2 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2011-05-18 EP claimed
WO-2009156864-A2 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-30 WO claimed
EP-2321315-B1 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2015-06-03 EP disclosed
US-20110144092-A1 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
EP-2321315-A2 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2011-05-18 EP disclosed
EP-2138494-A1 Substituted alkyl pyrimidin-4-one derivatives Sanofi-Aventis (FR) 2009-12-30 EP disclosed
WO-2009156864-A2 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-30 WO disclosed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 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-20110144092-A1 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES DPYD, TYMP, DHFR GSK3B 3837/4885LATS1 3470/4885CDC7 3058/4885

“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.