SCHEMBL4005541

SCHEMBL4005541

O=c1cc(-c2ccncc2)nc2n1CCN2CCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.57
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 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
SCHEMBL3999577 0.97 GSK3B (0.56) GSK3BCYP1A2CYP2D6DRD2DRD4
SCHEMBL4001235 0.94 GSK3B (0.55) GSK3BCYP1A2CYP2D6
SCHEMBL4005262 0.93 GSK3B (0.54) GSK3BCYP1A2CYP2D6DRD2DRD4
SCHEMBL3998498 0.90 GSK3B (0.47) GSK3B
SCHEMBL4001336 0.90 GSK3B (0.54) GSK3BCYP1A2CYP2D6
SCHEMBL4000340 0.89 GSK3B (0.45) GSK3BCYP1A2CYP2D6DRD2DRD4
SCHEMBL4001203 0.89 GSK3B (0.47) GSK3BCYP1A2CYP2D6
SCHEMBL3996990 0.87 GSK3B (0.43) GSK3BCYP1A2CYP2D6
SCHEMBL3999502 0.87 GSK3B (0.46) GSK3BCYP1A2CYP2D6
SCHEMBL3999412 0.87 GSK3B (0.52) GSK3B

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1184385-A1 1-[Alkyl], 1-[(heteroaryl)alkyl] and 1-[(aryl)alkyl]-7-pyridin-4-yl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)-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-1184385-A1 1-[Alkyl], 1-[(heteroaryl)alkyl] and 1-[(aryl)alkyl]-7-pyridin-4-yl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)-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 GSK3B 4758/4885CYP1A2 438/4885CYP2D6 17/4885
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 4812/4885CYP1A2 586/4885CYP2D6 12/4885
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 4/4885CYP1A2 1648/4885CYP2D6 2502/4885

“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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