SCHEMBL315487

SCHEMBL315487

O=c1cc(-c2ccncc2)nc2n1CCC(c1ccccc1)N2CC(O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.45
PIK3CA P42336 3/20 0.43
PIK3C3 Q8NEB9 2/20 0.43
PIK3R1 P27986 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PRCP P42785 1/20 0.37
ADAM17 P78536 1/20 0.37
ALDH1A1 P00352 1/20 0.35
USP19 O94966 1/20 0.35
PKM P14618 1/20 0.35
CDC7 O00311 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL6445946 0.96 PIK3CA (0.42) GSK3BPIK3CAPIK3C3PIK3R1CYP1A2
SCHEMBL316247 0.94 GSK3B (0.48) GSK3BPIK3CAPIK3C3PIK3R1CYP1A2
Hydrochloric Acid SCHEMBL316027 0.94 GSK3B (0.47) GSK3BPIK3CAPIK3C3PIK3R1CYP1A2
SCHEMBL316032 0.93 GSK3B (0.44) GSK3BPIK3CAPIK3C3PIK3R1CYP1A2
SCHEMBL316559 0.93 GSK3B (0.46) GSK3BPIK3CAPIK3C3PIK3R1CYP1A2
SCHEMBL316432 0.93 PIK3CA (0.44) GSK3BPIK3CAPIK3C3PIK3R1CYP1A2
SCHEMBL315660 0.91 GSK3B (0.42) GSK3BPIK3CAPIK3C3PIK3R1CYP1A2
SCHEMBL315353 0.91 GSK3B (0.44) GSK3BPIK3CAPIK3C3PIK3R1CYP1A2
SCHEMBL315672 0.89 SLC18A3 (0.43) GSK3BPIK3CAPIK3C3PIK3R1CYP1A2
SCHEMBL316019 0.85 SLC18A3 (0.39) GSK3BPIK3CAPIK3C3PIK3R1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093256-B2 Use of 8-substituted-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2012-01-10 US claimed
EP-1608654-B1 8-SUBSTITUTED-6, 7, 8,9-TETRAHY9DROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES SANOFI AVENTIS (FR) 2009-12-23 EP claimed
US-20080021046-A1 USE OF 8-SUBSTITUTED-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-01-24 US claimed
US-7247638-B2 8-Substituted-6,7,8,9-tetrahydropyrimido [1,2-a] pyrimidin-4-one derivatives. SANOFI-AVENTIS (FR) 2007-07-24 US claimed
US-20060035885-A1 8-Substituted-6,7,8,9-tetrahydropyrimido [1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2006-02-16 US claimed
US-8093256-B2 Use of 8-substituted-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2012-01-10 US disclosed
EP-1608654-B1 8-SUBSTITUTED-6, 7, 8,9-TETRAHY9DROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES SANOFI AVENTIS (FR) 2009-12-23 EP disclosed
US-20080021046-A1 USE OF 8-SUBSTITUTED-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-01-24 US disclosed
US-7247638-B2 8-Substituted-6,7,8,9-tetrahydropyrimido [1,2-a] pyrimidin-4-one derivatives. SANOFI-AVENTIS (FR) 2007-07-24 US disclosed
US-20060035885-A1 8-Substituted-6,7,8,9-tetrahydropyrimido [1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2006-02-16 US disclosed
EP-1608654-A2 8-SUBSTITUTED-6, 7, 8,9-TETRAHY9DROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES Sanofi-Aventis (FR) 2005-12-28 EP disclosed
WO-2004082577-A2 8-SUBSTITUTED-6, 7, 8, 9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2004-09-30 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-20060035885-A1 8-Substituted-6,7,8,9-tetrahydropyrimido [1,2-a] pyrimidin-4-one derivatives GSK3A, PSEN1, GSK3B GSK3B 3/4885PIK3CA 175/4885PIK3C3 2653/4885
US-20080021046-A1 USE OF 8-SUBSTITUTED-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES GSK3B, GSK3A, PSEN1 GSK3B 1/4885PIK3CA 81/4885PIK3C3 208/4885

“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.