SCHEMBL4003876

SCHEMBL4003876

COc1ccc(CCCCN2CCCn3c2nc(-c2ccncc2)cc3=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ MAOB P27338 1/20 0.47
▸ GSK3B P49841 8/20 0.46
▸ CYP2D6 P10635 4/20 0.46
▸ ADORA1 P30542 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ PTGDR Q13258 1/20 0.42
▸ PDE5A O76074 1/20 0.40

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
SCHEMBL4001336 0.87 GSK3B (0.54) ADORA2AADORA3GSK3BCYP2D6
SCHEMBL3996492 0.87 ADORA3 (0.51) ADORA2AADORA3MAOBGSK3BCYP2D6
SCHEMBL3998490 0.86 GSK3B (0.46) ADORA2AMAOBGSK3BSIGMAR1
SCHEMBL4005931 0.86 MAOB (0.50) MAOBGSK3BCYP2D6
SCHEMBL4000917 0.84 GSK3B (0.42) ADORA2AADORA3MAOBGSK3BCYP2D6
SCHEMBL4316082 0.84 MAOB (0.46) ADORA2AADORA3MAOBGSK3B
SCHEMBL3998733 0.84 GSK3B (0.43) GSK3BCYP2D6
SCHEMBL4001235 0.84 GSK3B (0.55) ADORA2AADORA3GSK3BCYP2D6
SCHEMBL4007202 0.84 GSK3B (0.40) GSK3BSIGMAR1
SCHEMBL4007227 0.84 GSK3B (0.42) MAOBGSK3BCYP2D6

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 16 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-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 2005/4885ADORA3 1438/4885MAOB 919/4885
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 1951/4885ADORA3 1389/4885MAOB 922/4885
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 503/4885ADORA3 631/4885MAOB 771/4885

“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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