SCHEMBL4415802

SCHEMBL4415802

O=c1cc(-c2ccncn2)nc2n1CCC(C(F)(F)F)N2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.51
CYP2D6 P10635 4/20 0.51
PIK3C3 Q8NEB9 4/20 0.46
PIK3CA P42336 8/20 0.45
PIK3R1 P27986 6/20 0.43
CYP1A2 P05177 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
SCHEMBL4415557 0.91 PIK3CA (0.50) GSK3BCYP2D6PIK3C3PIK3CAPIK3R1
SCHEMBL4412974 0.85 PIK3CA (0.61) GSK3BPIK3C3PIK3CAPIK3R1
SCHEMBL4415888 0.83 PIK3CA (0.55) GSK3BPIK3C3PIK3CAPIK3R1
SCHEMBL4414368 0.79 PIK3CA (0.57) GSK3BCYP2D6PIK3C3PIK3CAPIK3R1
SCHEMBL4412531 0.79 PIK3R1 (0.53) GSK3BCYP2D6PIK3CAPIK3R1CYP1A2
SCHEMBL4415991 0.79 PIK3CA (0.56) GSK3BCYP2D6PIK3C3PIK3CAPIK3R1
SCHEMBL4422147 0.79 PIK3CA (0.52) GSK3BPIK3C3PIK3CAPIK3R1
SCHEMBL4415624 0.77 PIK3CA (0.54) GSK3BCYP2D6PIK3C3PIK3CAPIK3R1
SCHEMBL3579378 0.77 GSK3B (0.51) GSK3BCYP2D6CYP1A2
SCHEMBL931572 0.75 PIK3CA (0.75) PIK3C3PIK3CAPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608653-B1 SUBSTITUTED 8-PERFLUOROALKYL-6,7,8,9-TETRAHYDROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES SANOFI AVENTIS (FR) 2009-06-17 EP claimed
US-7393853-B2 Use of substituted 8-Perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives as therapeutic agents SANOFI AVENTIS (FR) 2008-07-01 US claimed
US-20070191384-A1 Use of Substituted 8-Perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] Pyrimidin-4-one Derivatives as Therapeutic Agents SANOFI-AVENTIS (FR) 2007-08-16 US claimed
US-7217715-B2 Substituted 8-perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2007-05-15 US claimed
US-20060035910-A1 Substituted 8-perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2006-02-16 US claimed
EP-1608653-A1 SUBSTITUTED 8-PERFLUOROALKYL-6,7,8,9-TETRAHYDROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES Sanofi-Aventis (FR) 2005-12-28 EP claimed
WO-2004083210-A1 SUBSTITUTED 8-PERFLUOROALKYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2004-09-30 WO claimed
EP-1608653-B1 SUBSTITUTED 8-PERFLUOROALKYL-6,7,8,9-TETRAHYDROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES SANOFI AVENTIS (FR) 2009-06-17 EP disclosed
US-7393853-B2 Use of substituted 8-Perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives as therapeutic agents SANOFI AVENTIS (FR) 2008-07-01 US disclosed
US-20070191384-A1 Use of Substituted 8-Perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] Pyrimidin-4-one Derivatives as Therapeutic Agents SANOFI-AVENTIS (FR) 2007-08-16 US disclosed
US-7217715-B2 Substituted 8-perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2007-05-15 US disclosed
US-20060035910-A1 Substituted 8-perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2006-02-16 US 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-20070191384-A1 Use of Substituted 8-Perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] Pyrimidin-4-one Derivatives as Therapeutic Agents GSK3B, GSK3A, PSEN1 GSK3B 1/4885CYP2D6 2457/4885PIK3C3 276/4885
US-20060035910-A1 Substituted 8-perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives PSEN1, PSEN2, GSK3A GSK3B 4/4885CYP2D6 1176/4885PIK3C3 1060/4885

“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.