SCHEMBL4000429

SCHEMBL4000429

COCCN1CCn2c1nc(-c1ccncc1)cc2=O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.45
CYP2D6 P10635 6/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL3999827 0.83 GSK3B (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL4001210 0.82 GSK3B (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL4005265 0.82 ADORA3 (0.47) GSK3BCYP2D6
Hydrochloric Acid SCHEMBL4290097 0.82 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL4005262 0.80 GSK3B (0.54) GSK3BCYP2D6CYP1A2
SCHEMBL4006669 0.80 NPC1 (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL4001941 0.79 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL4001840 0.79 GSK3B (0.44) GSK3BCYP2D6
SCHEMBL4004828 0.79 GSK3B (0.47) GSK3BCYP2D6CYP1A2
SCHEMBL4001955 0.79 GSK3B (0.43) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566720-B2 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) 2009-07-28 US claimed
US-20080027078-A1 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) 2008-01-31 US claimed
US-20060014762-A1 2-Pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-A]pyrimidin-4-one and 7-pyridinyl-2,3-dihydoimidazo[1,2-A]pyrimidin-5(1H)one derivatives SANOFI-AVENTIS (FR) 2006-01-19 US claimed
US-6974819-B2 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydoimidazo{1,2-a}pyrimidin-5(1H)one derivatives SANOFI-AVENTIS (FR) 2005-12-13 US claimed
EP-1315731-B1 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) 2004-06-16 EP claimed
US-20040087598-A1 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-1,3-dihydoimidazo{1,2-a}pyrimidin-5(1h)one derivatives SANOFI (FR) 2004-05-06 US claimed
EP-1315731-A1 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) 2003-06-04 EP claimed
WO-2002018386-A1 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 DERIVATI VES SANOFI-SYNTHELABO (FR) 2002-03-07 WO claimed
US-7566720-B2 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) 2009-07-28 US disclosed
US-20080027078-A1 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) 2008-01-31 US disclosed
US-20060014762-A1 2-Pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-A]pyrimidin-4-one and 7-pyridinyl-2,3-dihydoimidazo[1,2-A]pyrimidin-5(1H)one derivatives SANOFI-AVENTIS (FR) 2006-01-19 US disclosed
US-6974819-B2 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydoimidazo{1,2-a}pyrimidin-5(1H)one derivatives SANOFI-AVENTIS (FR) 2005-12-13 US disclosed
EP-1315731-B1 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) 2004-06-16 EP disclosed
US-20040087598-A1 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-1,3-dihydoimidazo{1,2-a}pyrimidin-5(1h)one derivatives SANOFI (FR) 2004-05-06 US 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 (3 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-20040087598-A1 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-1,3-dihydoimidazo{1,2-a}pyrimidin-5(1h)one derivatives CBR1, DPYD, SULT1E1 GSK3B 4758/4885CYP2D6 17/4885CYP1A2 438/4885
US-20060014762-A1 2-Pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-A]pyrimidin-4-one and 7-pyridinyl-2,3-dihydoimidazo[1,2-A]pyrimidin-5(1H)one derivatives DPYD, CBR1, TXN2 GSK3B 4812/4885CYP2D6 12/4885CYP1A2 586/4885
US-20080027078-A1 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 PSEN2, PSEN1, GSK3A GSK3B 4/4885CYP2D6 2502/4885CYP1A2 1648/4885

“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.