SCHEMBL2403418

SCHEMBL2403418

Cn1c(N(CCCCN)CCc2ccccc2)nc(-c2ccncc2)cc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 1.00
BACE1 P56817 2/20 0.43
CDC7 O00311 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
KCNA5 P22460 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL5566468 0.99 GSK3B (1.00) GSK3BBACE1CDC7ROCK2MAP4K4
SCHEMBL5104864 0.93 GSK3B (0.87) GSK3BBACE1CDC7ROCK2MAP4K4
SCHEMBL27538041 0.83 GSK3B (0.71) GSK3BBACE1CDC7ROCK2MAP4K4
SCHEMBL7996126 0.78 GSK3B (0.63) GSK3BBACE1CDC7
SCHEMBL7978702 0.73 GSK3B (0.59) GSK3B
SCHEMBL5098175 0.71 GSK3B (0.70) GSK3B
SCHEMBL5041737 0.71 GSK3B (0.64) GSK3B
SCHEMBL2403941 0.71 GSK3B (0.62) GSK3B
SCHEMBL5098141 0.71 GSK3B (0.69) GSK3B
SCHEMBL5104876 0.71 GSK3B (0.62) GSK3B

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
JP-4778657-B2 2011-09-21 JP claimed
EP-1276738-B8 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS SANOFI AVENTIS (FR) 2008-02-20 EP claimed
EP-1276738-B1 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS SANOFI AVENTIS (FR) 2007-12-12 EP claimed
US-20050130998-A1 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI (FR) 2005-06-16 US claimed
US-6844335-B2 2-amino-3-(alkyl)-pyrimidone derivatives as GSK3.β.inhibitors SANOFI-SYNTHELABO (FR) 2005-01-18 US claimed
US-20030187004-A1 2-Amino-3-(alkyl)-pyrimidone derivatives as gsk3.beta. inhibitors SANOFI (FR) 2003-10-02 US claimed
EP-1276738-A1 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS Sanofi-Aventis (FR) 2003-01-22 EP claimed
WO-2001070729-A1 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS SANOFI-SYNTHELABO (FR) 2001-09-27 WO claimed
US-7378413-B2 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2008-05-27 US disclosed
EP-1276738-B8 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS SANOFI AVENTIS (FR) 2008-02-20 EP disclosed
EP-1276738-B1 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS SANOFI AVENTIS (FR) 2007-12-12 EP disclosed
US-20050130998-A1 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI (FR) 2005-06-16 US disclosed
US-6844335-B2 2-amino-3-(alkyl)-pyrimidone derivatives as GSK3.β.inhibitors SANOFI-SYNTHELABO (FR) 2005-01-18 US disclosed
US-20030187004-A1 2-Amino-3-(alkyl)-pyrimidone derivatives as gsk3.beta. inhibitors SANOFI (FR) 2003-10-02 US disclosed
EP-1276738-A1 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS Sanofi-Aventis (FR) 2003-01-22 EP disclosed
WO-2001070729-A1 2-AMINO-3-(ALKYL)-PYRIMIDONE DERIVATIVES AS GSK3.BETA. INHIBITORS SANOFI-SYNTHELABO (FR) 2001-09-27 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 (2 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-20050130998-A1 2-amino-3-(alkyl)-pyrimidone derivatives GSK3A, GSK3B, PSEN2 GSK3B 2/4885BACE1 6/4885CDC7 2083/4885
US-20030187004-A1 2-Amino-3-(alkyl)-pyrimidone derivatives as gsk3.beta. inhibitors GSK3A, GSK3B, CSNK2A3 GSK3B 2/4885BACE1 68/4885CDC7 701/4885

“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.