SCHEMBL4865741

SCHEMBL4865741

O=c1cc(-c2ccncc2)nc2n1CC(F)(F)CN2C[C@H](O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.48
PIK3CA P42336 3/20 0.38
PIK3R1 P27986 1/20 0.38
CDC7 O00311 1/20 0.37
ROCK2 O75116 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.35

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
SCHEMBL4865736 1.00 GSK3B (0.48) GSK3BPIK3CAPIK3R1CDC7ROCK2
SCHEMBL4865731 1.00 GSK3B (0.48) GSK3BPIK3CAPIK3R1CDC7ROCK2
SCHEMBL4870979 0.88 GSK3B (0.51) GSK3BPIK3CAPIK3R1CDC7ROCK2
SCHEMBL4870991 0.88 GSK3B (0.51) GSK3BPIK3CAPIK3R1CDC7ROCK2
SCHEMBL4870985 0.88 GSK3B (0.51) GSK3BPIK3CAPIK3R1CDC7ROCK2
Hydrochloric Acid SCHEMBL4872474 0.87 GSK3B (0.50) GSK3BPIK3CAPIK3R1CDC7ROCK2
Hydrochloric Acid SCHEMBL4872464 0.87 GSK3B (0.50) GSK3BPIK3CAPIK3R1CDC7ROCK2
Hydrochloric Acid SCHEMBL4872469 0.87 GSK3B (0.50) GSK3BPIK3CAPIK3R1CDC7ROCK2
SCHEMBL4007223 0.83 GSK3B (0.52) GSK3BPIK3CACDC7ROCK2MAP4K4
SCHEMBL3996421 0.83 GSK3B (0.52) GSK3BPIK3CACDC7ROCK2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214682-B2 Substituted 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) 2007-05-08 US claimed
EP-1430057-B1 SUBSTITUTED 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) 2005-08-31 EP claimed
US-20050049261-A1 Substituted 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 (FR) 2005-03-03 US claimed
US-7462621-B2 Use of substituted 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 as therapeutic agents SANOFI-AVENTIS (FR) 2008-12-09 US disclosed
US-20070167461-A1 USE OF SUBSTITUTED 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 AS THERAPEUTIC AGENTS SANOFI-AVENTIS (FR) 2007-07-19 US disclosed
EP-1674456-A2 Substituted alpha-halo-beta-keto-pyridinylpropanoates Sanofi-Aventis (FR) 2006-06-28 EP disclosed
EP-1430057-B1 SUBSTITUTED 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) 2005-08-31 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 (2 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-20070167461-A1 USE OF SUBSTITUTED 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 AS THERAPEUTIC AGENTS CDK5, CDK5R1, PSEN2 GSK3B 7/4885PIK3CA 164/4885PIK3R1 213/4885
US-20050049261-A1 Substituted 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 CDK5, PSEN1, GSK3A GSK3B 5/4885PIK3CA 312/4885PIK3R1 258/4885

“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.