SCHEMBL4418641

SCHEMBL4418641

O=C(CN1c2nc(-c3ccncc3)c(F)c(=O)n2CCC1C(F)(F)F)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.53
PIK3R1 P27986 15/20 0.53
PIK3C3 Q8NEB9 3/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 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
SCHEMBL4865750 0.87 PIK3R1 (0.39) PIK3CAPIK3R1KDM4EMEN1ALDH1A1
SCHEMBL4412535 0.83 PIK3CA (0.63) PIK3CAPIK3R1PIK3C3PIK3CBPIK3CG
Hydrochloric Acid SCHEMBL4414192 0.82 PIK3CA (0.62) PIK3CAPIK3R1PIK3C3PIK3CBPIK3CG
SCHEMBL4869668 0.79 DPP4 (0.39) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL4865509 0.76 PIK3R1 (0.38) PIK3CAPIK3R1KDM4EMEN1ALDH1A1
SCHEMBL16859037 0.75 PIK3CA (0.70) PIK3CAPIK3R1PIK3C3PIK3CBPIK3CG
SCHEMBL4412974 0.75 PIK3CA (0.61) PIK3CAPIK3R1PIK3C3PIK3CBPIK3CG
SCHEMBL7008721 0.74 HPGD (0.35) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL4414351 0.74 PIK3CA (0.56) PIK3CAPIK3R1PIK3C3PIK3CBPIK3CG
Hydrochloric Acid SCHEMBL7008594 0.74 HPGD (0.34) KDM4EMEN1ALDH1A1HPGDKMT2A

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 10 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-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 PIK3CA 15/4885PIK3R1 18/4885PIK3C3 276/4885
US-20060035910-A1 Substituted 8-perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives PSEN1, PSEN2, GSK3A PIK3CA 19/4885PIK3R1 23/4885PIK3C3 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.