SCHEMBL315291

SCHEMBL315291

COc1cccc(C(=O)CN2c3nc(-c4ccncc4)cc(=O)n3CCC2c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.47
CYP2D6 P10635 5/20 0.47
PRKACA P17612 1/20 0.41
ROCK1 Q13464 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDR P35968 1/20 0.40
THRB P10828 1/20 0.40
CYP1A2 P05177 1/20 0.40
CBX7 O95931 1/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL6445667 0.94 GSK3B (0.42) GSK3BCYP2D6PRKACAROCK1MAPT
SCHEMBL316072 0.92 GSK3B (0.44) GSK3BCYP2D6MAPTALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL315968 0.91 GSK3B (0.45) GSK3BCYP2D6MAPTALDH1A1CYP1A2
SCHEMBL315314 0.90 GSK3B (0.46) GSK3BCYP2D6ALDH1A1CYP1A2MEN1
SCHEMBL315639 0.90 GSK3B (0.46) GSK3BCYP2D6ALDH1A1CYP1A2MEN1
SCHEMBL4865807 0.89 GSK3B (0.45) GSK3BCYP2D6MAPTALDH1A1THRB
Hydrochloric Acid SCHEMBL315489 0.89 GSK3B (0.46) GSK3BCYP2D6ALDH1A1CYP1A2MEN1
Hydrochloric Acid SCHEMBL315474 0.89 GSK3B (0.46) GSK3BCYP2D6ALDH1A1CYP1A2MEN1
SCHEMBL317015 0.87 GSK3B (0.49) GSK3BCYP2D6CYP1A2PIK3R1PIK3CA
SCHEMBL314821 0.87 PIK3R1 (0.40) GSK3BCYP2D6ALDH1A1CYP1A2MEN1

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 14 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
EP-1460075-A1 Substituted 8-Pyridinyl-6,7,8,9-Tetrahydropyrimido[1,2-a]Pyrimidin-4-one and 8-Phenyl-6-7,8,9-Tetrahydropyrimido[1,2-a]Pyrimidin-4-one derivatives SANOFI-SYNTHELABO (FR) 2004-09-22 EP 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
EP-1460075-A1 Substituted 8-Pyridinyl-6,7,8,9-Tetrahydropyrimido[1,2-a]Pyrimidin-4-one and 8-Phenyl-6-7,8,9-Tetrahydropyrimido[1,2-a]Pyrimidin-4-one derivatives SANOFI-SYNTHELABO (FR) 2004-09-22 EP 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 3/4885CYP2D6 2455/4885PRKACA 1580/4885
US-20080021046-A1 USE OF 8-SUBSTITUTED-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES GSK3B, GSK3A, PSEN1 GSK3B 1/4885CYP2D6 2094/4885PRKACA 105/4885

“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.