SCHEMBL3364513

SCHEMBL3364513

O=c1cc(-c2ccncc2)nc2n1CCC1(CCC1)N2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.46
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
KCNH2 Q12809 1/20 0.40
LTC4S Q16873 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL3366438 0.98 GSK3B (0.46) GSK3BHCRTR1HCRTR2KCNH2LTC4S
SCHEMBL3364870 0.96 GSK3B (0.47) GSK3BCYP1A2CYP2D6
SCHEMBL3364469 0.90 GSK3B (0.47) GSK3BCYP1A2CYP2D6
SCHEMBL3369883 0.88 GSK3B (0.47) GSK3BCYP1A2CYP2D6
SCHEMBL3366803 0.87 GSK3B (0.51) GSK3BHCRTR1HCRTR2KCNH2LTC4S
SCHEMBL3366954 0.86 GSK3B (0.48) GSK3BCYP1A2CYP2D6
SCHEMBL3366917 0.86 GSK3B (0.48) GSK3BCYP1A2CYP2D6
SCHEMBL3364474 0.85 GSK3B (0.49) GSK3BCYP1A2CYP2D6
SCHEMBL3366183 0.85 GSK3B (0.51) GSK3BHCRTR1HCRTR2KCNH2LTC4S
SCHEMBL3364367 0.84 GSK3B (0.46) GSK3BCYP1A2CYP2D6

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-1603915-B1 SUBSTITUTED 8 -PYRIDINYL-DIHYDROSPIRO- CYCLOALKYL -PYRIMIDO 1,2-a PYRIMIDIN-6-ONE AND 8 -PYRIMIDIN YL-DIHYDROSPIRO- CYCLOALKYL -PYRIMIDO 1,2-a PYRIMIDIN-6-ONE DERIVATIVES AND THEIR USE AGAINST NEUROGENERATIVE DISEASES SANOFI AVENTIS (FR) 2010-05-26 EP claimed
US-7507743-B2 1'-[(2S)-2-Hydroxy-2-phenylethyl]-8'-pyridin-4-yl-3',4'-dihydrospiro[cyclopropane-1,2'-pyrimido[1,2-a]pyrimidin]-6'(1'H)-one; glycogen synthase kinase-3 beta inhibitor; neurodegenerative disease, non-insulin dependent diabetes; inhibit amyloid precursor protein and tau protein hyperphosphorylation SANOFI-AVENTIS (FR) 2009-03-24 US claimed
US-20080081819-A1 SUBSTITUTED 8'-PYRIDINYL-DIHYDROSPIRO-[CYCLOALKYL]-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE AND 8'-PYRIMIDINYL-DIHYDROSPIRO-[CYCLOALKYL]-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-04-03 US claimed
US-7294632-B2 Substituted 8′-pyridinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one and 8′-pyrimidinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one derivatives SANOFI-AVENTIS (FR) 2007-11-13 US claimed
US-20060025431-A1 Substituted 8'-pyridinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one and 8'-pyrimidinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one derivatives SANOFI-AVENTIS (FR) 2006-02-02 US claimed
EP-1603915-B1 SUBSTITUTED 8 -PYRIDINYL-DIHYDROSPIRO- CYCLOALKYL -PYRIMIDO 1,2-a PYRIMIDIN-6-ONE AND 8 -PYRIMIDIN YL-DIHYDROSPIRO- CYCLOALKYL -PYRIMIDO 1,2-a PYRIMIDIN-6-ONE DERIVATIVES AND THEIR USE AGAINST NEUROGENERATIVE DISEASES SANOFI AVENTIS (FR) 2010-05-26 EP disclosed
US-7507743-B2 1'-[(2S)-2-Hydroxy-2-phenylethyl]-8'-pyridin-4-yl-3',4'-dihydrospiro[cyclopropane-1,2'-pyrimido[1,2-a]pyrimidin]-6'(1'H)-one; glycogen synthase kinase-3 beta inhibitor; neurodegenerative disease, non-insulin dependent diabetes; inhibit amyloid precursor protein and tau protein hyperphosphorylation SANOFI-AVENTIS (FR) 2009-03-24 US disclosed
US-20080081819-A1 SUBSTITUTED 8'-PYRIDINYL-DIHYDROSPIRO-[CYCLOALKYL]-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE AND 8'-PYRIMIDINYL-DIHYDROSPIRO-[CYCLOALKYL]-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-04-03 US disclosed
US-7294632-B2 Substituted 8′-pyridinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one and 8′-pyrimidinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one derivatives SANOFI-AVENTIS (FR) 2007-11-13 US disclosed
US-20060025431-A1 Substituted 8'-pyridinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one and 8'-pyrimidinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one derivatives SANOFI-AVENTIS (FR) 2006-02-02 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-20060025431-A1 Substituted 8'-pyridinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one and 8'-pyrimidinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one derivatives PSEN1, PSEN2, GSK3A GSK3B 4/4885HCRTR1 1937/4885HCRTR2 2372/4885
US-20080081819-A1 SUBSTITUTED 8'-PYRIDINYL-DIHYDROSPIRO-[CYCLOALKYL]-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE AND 8'-PYRIMIDINYL-DIHYDROSPIRO-[CYCLOALKYL]-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE DERIVATIVES PSEN2, PSEN1, GSK3A GSK3B 4/4885HCRTR1 1697/4885HCRTR2 1986/4885

“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.