SCHEMBL4001200

SCHEMBL4001200

COc1ccccc1CCN1CCCn2c1nc(-c1ccncc1)cc2=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.54
▸ ADORA3 P0DMS8 2/20 0.54
▸ ADORA1 P30542 2/20 0.54
▸ GSK3B P49841 12/20 0.47
▸ ADORA2A P29274 3/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SIGMAR1 Q99720 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
SCHEMBL4005923 0.94 MAOB (0.49) MAOBADORA3ADORA1GSK3BADORA2A
SCHEMBL4001003 0.90 ADORA2A (0.55) MAOBADORA3ADORA1GSK3BADORA2A
SCHEMBL4008764 0.89 GSK3B (0.43) MAOBADORA3ADORA1GSK3BADORA2A
SCHEMBL4001941 0.89 GSK3B (0.47) MAOBADORA3ADORA1GSK3BADORA2A
SCHEMBL4004828 0.86 GSK3B (0.47) MAOBADORA3ADORA1GSK3BADORA2A
SCHEMBL3996903 0.85 GSK3B (0.44) MAOBADORA3ADORA1GSK3BADORA2A
SCHEMBL4002596 0.84 HDAC3 (0.41) MAOBADORA3ADORA1GSK3BADORA2A
SCHEMBL4000917 0.83 GSK3B (0.42) MAOBADORA3ADORA1GSK3BADORA2A
SCHEMBL4001840 0.83 GSK3B (0.44) GSK3BCYP2D6
SCHEMBL3999412 0.83 GSK3B (0.52) ADORA3ADORA1GSK3BADORA2AALDH1A1

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 MAOB 919/4885ADORA3 1438/4885ADORA1 665/4885
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 MAOB 922/4885ADORA3 1389/4885ADORA1 1405/4885
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 MAOB 771/4885ADORA3 631/4885ADORA1 164/4885

“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.

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