SCHEMBL4005322

SCHEMBL4005322

O=c1cc(-c2ccncc2)nc2n1CCCN2CCc1cccs1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.49
ADORA1 P30542 2/20 0.49
GSK3B P49841 14/20 0.41
MAOB P27338 1/20 0.39
ADORA2B P29275 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 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
SCHEMBL6654588 0.84 GSK3B (0.41) ADORA2AGSK3BMAOBADORA2B
SCHEMBL3999412 0.84 GSK3B (0.52) ADORA2AADORA1GSK3BADORA2B
SCHEMBL4001758 0.81 GSK3B (0.43) GSK3BCYP1A2CYP2D6
SCHEMBL5904466 0.80 HRH3 (0.43) ADORA2AGSK3BMAOBADORA2B
SCHEMBL3996903 0.80 GSK3B (0.44) ADORA2AADORA1GSK3BMAOBADORA2B
SCHEMBL4001235 0.80 GSK3B (0.55) ADORA2AGSK3BADORA2BCYP1A2CYP2D6
SCHEMBL4001807 0.80 GSK3B (0.45) GSK3BCYP1A2CYP2D6
SCHEMBL3996832 0.80 ADORA2A (0.56) ADORA2AGSK3BMAOBADORA2B
SCHEMBL4000348 0.80 MAOB (0.46) ADORA2AGSK3BMAOBADORA2B
SCHEMBL4002596 0.80 HDAC3 (0.41) ADORA2AADORA1GSK3BMAOBADORA2B

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 18 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
EP-1184383-A1 9-[Alkyl], 9-[(heteroaryl)alkyl] and 9-[(aryl)alkyl]-2-pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one derivatives SANOFI-SYNTHELABO (FR) 2002-03-06 EP 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
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 disclosed
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 disclosed
EP-1184383-A1 9-[Alkyl], 9-[(heteroaryl)alkyl] and 9-[(aryl)alkyl]-2-pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one derivatives SANOFI-SYNTHELABO (FR) 2002-03-06 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 (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 ADORA2A 2005/4885ADORA1 665/4885GSK3B 4758/4885
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 ADORA2A 1951/4885ADORA1 1405/4885GSK3B 4812/4885
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 ADORA2A 503/4885ADORA1 164/4885GSK3B 4/4885

“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.