SCHEMBL315472

SCHEMBL315472

O=C(CN1c2nc(-c3ccncc3)cc(=O)n2CCC1c1ccncc1)c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 6/20 0.41
PIK3CA P42336 6/20 0.41
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GSK3B P49841 12/20 0.39
CYP2D6 P10635 3/20 0.35
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL315378 0.99 PIK3R1 (0.40) PIK3R1PIK3CAALDH1A1GLAGSK3B
SCHEMBL314821 0.96 PIK3R1 (0.40) PIK3R1PIK3CAALDH1A1GLAGSK3B
Hydrochloric Acid SCHEMBL315948 0.96 GSK3B (0.40) PIK3R1PIK3CAALDH1A1GLAGSK3B
SCHEMBL315314 0.90 GSK3B (0.46) PIK3R1PIK3CAALDH1A1GSK3BCYP2D6
SCHEMBL315228 0.89 GSK3B (0.50) PIK3R1PIK3CAGSK3BCYP2D6CYP1A2
Hydrochloric Acid SCHEMBL315474 0.89 GSK3B (0.46) PIK3R1PIK3CAALDH1A1GSK3BCYP2D6
SCHEMBL4870929 0.89 PIK3R1 (0.40) PIK3R1PIK3CAALDH1A1GLAGSK3B
SCHEMBL315639 0.88 GSK3B (0.46) PIK3R1PIK3CAALDH1A1GSK3BCYP2D6
Hydrochloric Acid SCHEMBL315489 0.87 GSK3B (0.46) PIK3R1PIK3CAALDH1A1GSK3BCYP2D6
SCHEMBL4414351 0.87 PIK3CA (0.56) PIK3R1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093256-B2 Use of 8-substituted-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2012-01-10 US claimed
EP-1608654-B1 8-SUBSTITUTED-6, 7, 8,9-TETRAHY9DROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES SANOFI AVENTIS (FR) 2009-12-23 EP claimed
US-20080021046-A1 USE OF 8-SUBSTITUTED-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-01-24 US claimed
US-7247638-B2 8-Substituted-6,7,8,9-tetrahydropyrimido [1,2-a] pyrimidin-4-one derivatives. SANOFI-AVENTIS (FR) 2007-07-24 US claimed
US-20060035885-A1 8-Substituted-6,7,8,9-tetrahydropyrimido [1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2006-02-16 US claimed
EP-1608654-A2 8-SUBSTITUTED-6, 7, 8,9-TETRAHY9DROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES Sanofi-Aventis (FR) 2005-12-28 EP claimed
WO-2004082577-A2 8-SUBSTITUTED-6, 7, 8, 9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2004-09-30 WO claimed
EP-1460075-A1 Substituted 8-Pyridinyl-6,7,8,9-Tetrahydropyrimido[1,2-a]Pyrimidin-4-one and 8-Phenyl-6-7,8,9-Tetrahydropyrimido[1,2-a]Pyrimidin-4-one derivatives SANOFI-SYNTHELABO (FR) 2004-09-22 EP claimed
US-8093256-B2 Use of 8-substituted-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2012-01-10 US disclosed
EP-1608654-B1 8-SUBSTITUTED-6, 7, 8,9-TETRAHY9DROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES SANOFI AVENTIS (FR) 2009-12-23 EP disclosed
US-20080021046-A1 USE OF 8-SUBSTITUTED-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-01-24 US disclosed
US-7247638-B2 8-Substituted-6,7,8,9-tetrahydropyrimido [1,2-a] pyrimidin-4-one derivatives. SANOFI-AVENTIS (FR) 2007-07-24 US disclosed
US-20060035885-A1 8-Substituted-6,7,8,9-tetrahydropyrimido [1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2006-02-16 US disclosed
EP-1608654-A2 8-SUBSTITUTED-6, 7, 8,9-TETRAHY9DROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES Sanofi-Aventis (FR) 2005-12-28 EP disclosed
WO-2004082577-A2 8-SUBSTITUTED-6, 7, 8, 9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2004-09-30 WO disclosed
EP-1460075-A1 Substituted 8-Pyridinyl-6,7,8,9-Tetrahydropyrimido[1,2-a]Pyrimidin-4-one and 8-Phenyl-6-7,8,9-Tetrahydropyrimido[1,2-a]Pyrimidin-4-one derivatives SANOFI-SYNTHELABO (FR) 2004-09-22 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-20060035885-A1 8-Substituted-6,7,8,9-tetrahydropyrimido [1,2-a] pyrimidin-4-one derivatives GSK3A, PSEN1, GSK3B PIK3R1 200/4885PIK3CA 175/4885ALDH1A1 1207/4885
US-20080021046-A1 USE OF 8-SUBSTITUTED-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES GSK3B, GSK3A, PSEN1 PIK3R1 129/4885PIK3CA 81/4885ALDH1A1 2682/4885

“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.