SCHEMBL4865574

SCHEMBL4865574

COc1ccc(OC)c(CCN2c3nc(-c4ccncc4)cc(=O)n3CCC2C)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.43
CYP2D6 P10635 6/20 0.43
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 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
SCHEMBL6650146 0.90 GSK3B (0.39) GSK3BCYP2D6PIK3R1PIK3CA
SCHEMBL4870951 0.89 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL3579384 0.89 GSK3B (0.49) GSK3BCYP2D6
SCHEMBL4869878 0.85 GSK3B (0.51) GSK3BCYP2D6
Hydrochloric Acid SCHEMBL5151337 0.84 GSK3B (0.51) GSK3BCYP2D6
SCHEMBL4001840 0.84 GSK3B (0.44) GSK3BCYP2D6
SCHEMBL4008764 0.83 GSK3B (0.43) GSK3BCYP2D6
SCHEMBL3996514 0.81 GSK3B (0.43) GSK3BCYP2D6
SCHEMBL4000917 0.80 GSK3B (0.42) GSK3BCYP2D6
SCHEMBL3573732 0.78 GSK3B (0.53) GSK3BCYP2D6

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-7462621-B2 Use of substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo[1,2-a] pyrimidin-5(1H)one derivatives as therapeutic agents SANOFI-AVENTIS (FR) 2008-12-09 US claimed
US-20070167461-A1 USE OF SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO[1,2-a] PYRIMIDIN-5(1H)ONE DERIVATIVES AS THERAPEUTIC AGENTS SANOFI-AVENTIS (FR) 2007-07-19 US claimed
US-7214682-B2 Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo{1,2-a}pyrimidin-5(1h)one derivatives SANOFI-AVENTIS (FR) 2007-05-08 US claimed
EP-1430057-B1 SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO 1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO 1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES SANOFI AVENTIS (FR) 2005-08-31 EP claimed
US-20050049261-A1 Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo{1,2-a}pyrimidin-5(1h)one derivatives SANOFI (FR) 2005-03-03 US claimed
US-7462621-B2 Use of substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo[1,2-a] pyrimidin-5(1H)one derivatives as therapeutic agents SANOFI-AVENTIS (FR) 2008-12-09 US disclosed
US-20070167461-A1 USE OF SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO[1,2-a] PYRIMIDIN-5(1H)ONE DERIVATIVES AS THERAPEUTIC AGENTS SANOFI-AVENTIS (FR) 2007-07-19 US disclosed
US-7214682-B2 Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo{1,2-a}pyrimidin-5(1h)one derivatives SANOFI-AVENTIS (FR) 2007-05-08 US disclosed
EP-1674456-A2 Substituted alpha-halo-beta-keto-pyridinylpropanoates Sanofi-Aventis (FR) 2006-06-28 EP disclosed
EP-1430057-B1 SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO 1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO 1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES SANOFI AVENTIS (FR) 2005-08-31 EP disclosed
US-20050049261-A1 Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo{1,2-a}pyrimidin-5(1h)one derivatives SANOFI (FR) 2005-03-03 US disclosed
EP-1430057-A2 SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO 1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO 1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES Sanofi-Aventis (FR) 2004-06-23 EP disclosed
WO-2003027116-A2 SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES 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-20070167461-A1 USE OF SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO[1,2-a] PYRIMIDIN-5(1H)ONE DERIVATIVES AS THERAPEUTIC AGENTS CDK5, CDK5R1, PSEN2 GSK3B 7/4885CYP2D6 3939/4885PIK3R1 213/4885
US-20050049261-A1 Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo{1,2-a}pyrimidin-5(1h)one derivatives CDK5, PSEN1, GSK3A GSK3B 5/4885CYP2D6 3084/4885PIK3R1 258/4885

“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.