SCHEMBL315996

SCHEMBL315996

Nc1nccc(-c2ccncn2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.52
AURKA O14965 2/20 0.52
PRKACA P17612 1/20 0.52
ADORA2A P29274 1/20 0.52
CDK5 Q00535 3/20 0.50
CDK5R1 Q15078 3/20 0.50
HSP90AB1 P08238 1/20 0.50
PTK2 Q05397 1/20 0.50
CDK2 P24941 3/20 0.47
CDK4 P11802 1/20 0.47
CCNE1 P24864 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GSK3B P49841 3/20 0.45
DYRK1A Q13627 3/20 0.45
NFATC1 O95644 1/20 0.45
KMO O15229 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LATS1 O95835 1/20 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
SCHEMBL10402322 0.79 HSP90AA1 (0.48) HSP90AA1CDK5CDK5R1CDK2KDM4E
SCHEMBL2814353 0.79 HSP90AA1 (0.52) HSP90AA1PRKACACDK5CDK5R1CDK2
SCHEMBL30595872 0.79 HSP90AA1 (0.52) HSP90AA1PRKACACDK5CDK5R1CDK2
SCHEMBL2684649 0.77 HSP90AA1 (0.70) HSP90AA1AURKAPRKACAADORA2ACDK5
SCHEMBL3656078 0.76 PRKACA (0.48) HSP90AA1AURKAPRKACAADORA2ACDK5
SCHEMBL23071629 0.76 HSP90AA1 (0.63) HSP90AA1AURKAPRKACAADORA2ACDK5
SCHEMBL4630886 0.75 HSP90AA1 (0.37) HSP90AA1ADORA2ACDK5CDK5R1CDK2
SCHEMBL23453427 0.75 HSP90AA1 (0.46) HSP90AA1ADORA2AALDH1A1GSK3BLATS1
SCHEMBL460135 0.75 HSP90AA1 (0.62) HSP90AA1AURKAPRKACAADORA2ACDK5
SCHEMBL29462395 0.75 HSP90AA1 (0.62) HSP90AA1AURKAPRKACAADORA2ACDK5

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
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
US-20090281121-A1 SUBSTITUTED 8-PIPERIDINYL-2-PYRIDINYL-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE AND 8-PIPERIDINYL-2-PYRIMIDINYL-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-11-12 US disclosed
EP-1921080-B1 Subsitituted 8-piperidinyl-2-pyridinyl-pyrimido(1,2-a)pyrimidin-6-one and 8-piperidinyl-2-pyrimidinyl-pyrimido(1,2-a)pyrimidin-6-one derivatives SANOFI AVENTIS (FR) 2009-08-05 EP disclosed
EP-2081938-A2 SUBSTITUTED 8-PIPERIDINYL-2-PYRIDINYL-PYRIMIDO Ý1,2-A¨PIRIMIDIN-6-ONE AND 8-PIPERIDINYL-2-PYRIMIDI NYL-PYRIMIDOÝ1,2,-A¨PYRIMIDIN-6-ONE DERIVATIVES Sanofi-Aventis (FR) 2009-07-29 EP disclosed
WO-2008056266-A2 SUBSTITUTED 8-PIPERIDINYL-2-PYRIDINYL-PYRIMIDO [1,2-A]PYRIMIDIN-6-ONE AND 8-PIPERIDINYL-2-PYRIMIDINYL-PYRIMIDO[1,2-A]PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-05-15 WO disclosed
EP-1921080-A1 Subsitituted 8-piperidinyl-2-pyridinyl-pyrimido(1,2-a)pyrimidin-6-one and 8-piperidinyl-2-pyrimidinyl-pyrimido(1,2-a)pyrimidin-6-one derivatives Sanofi-Aventis (FR) 2008-05-14 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-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 (3 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-20090281121-A1 SUBSTITUTED 8-PIPERIDINYL-2-PYRIDINYL-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE AND 8-PIPERIDINYL-2-PYRIMIDINYL-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE DERIVATIVES PSEN2, PSEN1, GSK3A HSP90AA1 2635/4885AURKA 1170/4885PRKACA 875/4885
US-20060035885-A1 8-Substituted-6,7,8,9-tetrahydropyrimido [1,2-a] pyrimidin-4-one derivatives GSK3A, PSEN1, GSK3B HSP90AA1 3267/4885AURKA 926/4885PRKACA 1580/4885
US-20080021046-A1 USE OF 8-SUBSTITUTED-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES GSK3B, GSK3A, PSEN1 HSP90AA1 4435/4885AURKA 2245/4885PRKACA 105/4885

“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.