SCHEMBL4865517

SCHEMBL4865517

CC1CCn2c(nc(-c3ccncc3)cc2=O)N1CCc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.46
CYP2D6 P10635 3/20 0.46
CYP1A2 P05177 2/20 0.46
HRH3 Q9Y5N1 2/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL3564424 0.88 GSK3B (0.53) GSK3BCYP2D6CYP1A2
SCHEMBL4869878 0.85 GSK3B (0.51) GSK3BCYP2D6CYP1A2
Hydrochloric Acid SCHEMBL5151337 0.84 GSK3B (0.51) GSK3BCYP2D6CYP1A2
SCHEMBL6223611 0.83 GSK3B (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL4870951 0.81 GSK3B (0.47) GSK3BCYP2D6CYP1A2HRH3
SCHEMBL4873103 0.78 GSK3B (0.43) GSK3BCYP2D6CYP1A2HRH3KCNH2
SCHEMBL4865574 0.78 GSK3B (0.43) GSK3BCYP2D6
SCHEMBL4000340 0.78 GSK3B (0.45) GSK3BCYP2D6CYP1A2
SCHEMBL4872359 0.77 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL3998733 0.76 GSK3B (0.43) GSK3BCYP2D6CYP1A2

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 15 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
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 claimed
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 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 3939/4885CYP1A2 2998/4885
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 3084/4885CYP1A2 3289/4885

“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.