SCHEMBL3571963

SCHEMBL3571963

COc1cccc([C@H](O)CN2c3nc(-c4ccncn4)cc(=O)n3CCC2(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.48
CYP2D6 P10635 7/20 0.48
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 3/20 0.48
ROCK1 Q13464 2/20 0.40
ROCK2 O75116 1/20 0.40
CYP2C9 P11712 1/20 0.40
PRKCG P05129 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MAPK1 P28482 1/20 0.40
GSK3A P49840 1/20 0.40
PRKX P51817 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN2 Q16513 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SGK2 Q9HBY8 1/20 0.40

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
SCHEMBL3571961 1.00 GSK3B (0.48) GSK3BCYP2D6CYP1A2CYP3A4ROCK1
SCHEMBL3571966 1.00 GSK3B (0.48) GSK3BCYP2D6CYP1A2CYP3A4ROCK1
SCHEMBL3571686 0.92 GSK3B (0.47) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL3571684 0.92 GSK3B (0.47) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL3571682 0.92 GSK3B (0.47) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL4872268 0.89 GSK3B (0.44) GSK3BCYP2D6CYP3A4ROCK1ROCK2
SCHEMBL3565022 0.89 GSK3B (0.47) GSK3BCYP2D6CYP1A2GSK3A
SCHEMBL3565026 0.89 GSK3B (0.47) GSK3BCYP2D6CYP1A2GSK3A
SCHEMBL3565018 0.89 GSK3B (0.47) GSK3BCYP2D6CYP1A2GSK3A
SCHEMBL4872262 0.89 GSK3B (0.44) GSK3BCYP2D6CYP3A4ROCK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269257-A1 Use of Substituted 2-Pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-A] Pyrimidin-4-one and 7-Pyrimidinyl-2,3-dihydroimidazo[1,2-A] Pyrimidin-5(1H)one Derivatives SANOFI-AVENTIS (FR) 2008-10-30 US claimed
US-7388005-B2 Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo [1,2-a]pyrimidin-5(1H)one derivatives for neurodegenerative disorders SANOFI-AVENTIS (FR) 2008-06-17 US claimed
EP-1430056-B1 SUBSTITUTED 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIMIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES FOR NEURODEGENERATIVE DISORDERS SANOFI AVENTIS (FR) 2005-10-26 EP claimed
US-20040266793-A1 Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1h)one derivatives for neurodegenerative disorders SANOFI (FR) 2004-12-30 US claimed
EP-1430056-A1 SUBSTITUTED 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIMIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES FOR NEURODEGENERATIVE DISORDERS Sanofi-Aventis (FR) 2004-06-23 EP claimed
WO-2003027115-A1 SUBSTITUTED 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIMIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES FOR NEURODEGENERATIVE DISORDERS SANOFI-SYNTHELABO (FR) 2003-04-03 WO claimed
US-7781440-B2 Use of substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a] pyrimidin-5(1H)one derivatives SANOFI-AVENTIS (FR) 2010-08-24 US disclosed
US-20080269257-A1 Use of Substituted 2-Pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-A] Pyrimidin-4-one and 7-Pyrimidinyl-2,3-dihydroimidazo[1,2-A] Pyrimidin-5(1H)one Derivatives SANOFI-AVENTIS (FR) 2008-10-30 US disclosed
US-7388005-B2 Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo [1,2-a]pyrimidin-5(1H)one derivatives for neurodegenerative disorders SANOFI-AVENTIS (FR) 2008-06-17 US disclosed
EP-1430056-B1 SUBSTITUTED 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIMIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES FOR NEURODEGENERATIVE DISORDERS SANOFI AVENTIS (FR) 2005-10-26 EP disclosed
US-20040266793-A1 Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1h)one derivatives for neurodegenerative disorders SANOFI (FR) 2004-12-30 US disclosed
EP-1430056-A1 SUBSTITUTED 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIMIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES FOR NEURODEGENERATIVE DISORDERS Sanofi-Aventis (FR) 2004-06-23 EP disclosed
WO-2003027115-A1 SUBSTITUTED 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIMIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES FOR NEURODEGENERATIVE DISORDERS SANOFI-SYNTHELABO (FR) 2003-04-03 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 (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-20080269257-A1 Use of Substituted 2-Pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-A] Pyrimidin-4-one and 7-Pyrimidinyl-2,3-dihydroimidazo[1,2-A] Pyrimidin-5(1H)one Derivatives CDK5, PSEN2, PSEN1 GSK3B 6/4885CYP2D6 3940/4885CYP1A2 3340/4885
US-20040266793-A1 Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1h)one derivatives for neurodegenerative disorders CDK5, GSK3A, GSK3B GSK3B 3/4885CYP2D6 3818/4885CYP1A2 4162/4885

“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.