SCHEMBL4862265

SCHEMBL4862265

CC1CCn2c(nc(-c3ccncc3)cc2=O)N1CC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 4/20 0.43
PIK3CA P42336 4/20 0.43
MAOB P27338 2/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GSK3B P49841 3/20 0.39
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4872164 0.95 ALDH1A1 (0.46) PIK3R1PIK3CAALDH1A1KDM4ENPC1
SCHEMBL6648811 0.90 PIK3R1 (0.37) PIK3R1PIK3CAMAOBALDH1A1KDM4E
SCHEMBL3577990 0.89 GSK3B (0.42) PIK3R1PIK3CAMAOBGSK3BCTNNB1
SCHEMBL4871253 0.85 GSK3B (0.48) PIK3R1PIK3CAGSK3B
SCHEMBL3581288 0.84 CTNNB1 (0.47) PIK3R1PIK3CAALDH1A1KDM4ENPC1
SCHEMBL4865541 0.82 GSK3B (0.52) PIK3R1PIK3CAGSK3B
SCHEMBL4865807 0.81 GSK3B (0.45) PIK3R1PIK3CAALDH1A1GSK3BMAPT
SCHEMBL4867434 0.74 PIK3R1 (0.43) PIK3R1PIK3CALMNASMN1; SMN2GSK3B
SCHEMBL4871778 0.74 GSK3B (0.47) PIK3R1PIK3CAGSK3B
SCHEMBL6650146 0.74 GSK3B (0.39) PIK3R1PIK3CAGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
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 disclosed
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 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 PIK3R1 213/4885PIK3CA 164/4885MAOB 1224/4885
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 PIK3R1 258/4885PIK3CA 312/4885MAOB 1035/4885

“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.