SCHEMBL5095579

SCHEMBL5095579

COc1cccc2c1OC(CN1c3nc(-c4ccncn4)cc(=O)n3CCC1C)CO2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.45
CYP2D6 P10635 7/20 0.45
CYP1A2 P05177 4/20 0.45
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HTR1A P08908 4/20 0.42
CYP3A4 P08684 1/20 0.41
SLC6A4 P31645 2/20 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
SCHEMBL5095450 0.94 GSK3B (0.45) GSK3BCYP2D6CYP1A2ADRA1DADRA1A
SCHEMBL5108639 0.90 SLC6A4 (0.43) GSK3BCYP2D6ADRA1DADRA1AADRA1B
SCHEMBL5099053 0.88 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL5109413 0.85 GSK3B (0.46) GSK3BCYP2D6CYP1A2ADRA1DADRA1A
SCHEMBL5102303 0.84 ADRA1D (0.42) GSK3BCYP2D6ADRA1DADRA1AADRA1B
SCHEMBL5098816 0.81 GSK3B (0.42) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL5099081 0.80 GSK3B (0.43) GSK3BCYP2D6CYP1A2HTR1A
SCHEMBL5098926 0.79 GSK3B (0.46) GSK3BCYP2D6CYP1A2ADRA1DADRA1A
SCHEMBL3573732 0.78 GSK3B (0.53) GSK3BCYP2D6CYP1A2CYP3A4
SCHEMBL5098714 0.77 GSK3B (0.40) GSK3BCYP2D6CYP1A2ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225300-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-09-27 US claimed
US-7232827-B2 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2007-06-19 US claimed
EP-1480983-B1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYDIMIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES SANOFI AVENTIS (FR) 2005-11-09 EP claimed
EP-1480983-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYDIMIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES Sanofi-Aventis (FR) 2004-12-01 EP claimed
WO-2003072579-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9- TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2003-09-04 WO claimed
US-7465737-B2 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl -6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2008-12-16 US disclosed
US-20070225300-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-09-27 US disclosed
US-7232827-B2 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2007-06-19 US disclosed
EP-1480983-B1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYDIMIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES SANOFI AVENTIS (FR) 2005-11-09 EP disclosed
EP-1480983-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYDIMIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES Sanofi-Aventis (FR) 2004-12-01 EP disclosed
WO-2003072579-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9- TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2003-09-04 WO 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 (1 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-20070225300-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES CDK5, CDK5R1, PSEN2 GSK3B 5/4885CYP2D6 2841/4885CYP1A2 2160/4885

“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.