SCHEMBL5102249

SCHEMBL5102249

CC1(C)CN(CCc2coc3ncccc23)c2nc(-c3ccncn3)cc(=O)n2C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.39
CYP2D6 P10635 7/20 0.39
CYP1A2 P05177 4/20 0.36

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
Hydrochloric Acid SCHEMBL5109367 0.99 GSK3B (0.39) GSK3BCYP2D6CYP1A2
SCHEMBL3568700 0.84 GSK3B (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL3572444 0.83 GSK3B (0.45) GSK3BCYP2D6CYP1A2
SCHEMBL3576176 0.83 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL3570765 0.82 GSK3B (0.47) GSK3BCYP2D6CYP1A2
SCHEMBL3573851 0.81 GSK3B (0.52) GSK3BCYP2D6CYP1A2
SCHEMBL3568530 0.81 GSK3B (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL3570732 0.80 GSK3B (0.48) GSK3BCYP2D6CYP1A2
SCHEMBL3572932 0.80 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL3564673 0.80 GSK3B (0.42) GSK3BCYP2D6CYP1A2

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 8 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-1348708-A1 Heteroaryl substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)one derivatives SANOFI-SYNTHELABO (FR) 2003-10-01 EP 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-1348708-A1 Heteroaryl substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)one derivatives SANOFI-SYNTHELABO (FR) 2003-10-01 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 (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.