SCHEMBL3366965

SCHEMBL3366965

O=C(CN1c2nc(-c3ccncc3)cc(=O)n2CCC12CC2)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.47
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3364367 0.96 GSK3B (0.46) GSK3BCYP1A2CYP2D6GRM5ALDH1A1
SCHEMBL3368275 0.96 GSK3B (0.46) GSK3BCYP1A2CYP2D6GRM5ALDH1A1
SCHEMBL5554395 0.94 GSK3B (0.44) GSK3BCYP1A2CYP2D6GRM5ALDH1A1
SCHEMBL4431543 0.94 GSK3B (0.48) GSK3BCYP1A2CYP2D6
SCHEMBL4432305 0.91 GSK3B (0.43) GSK3BCYP1A2CYP2D6GRM5ALDH1A1
SCHEMBL4421861 0.91 GSK3B (0.47) GSK3BCYP1A2CYP2D6
SCHEMBL5559490 0.90 GSK3B (0.41) GSK3BCYP1A2CYP2D6GRM5ALDH1A1
SCHEMBL4421959 0.90 P2RY12 (0.43) GSK3BCYP1A2ALDH1A1
SCHEMBL4874059 0.89 GSK3B (0.48) GSK3BCYP1A2CYP2D6GRM5
SCHEMBL4420489 0.89 GSK3B (0.40) GSK3BCYP1A2CYP2D6ALDH1A1TSHR

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 14 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-1454909-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 and their use against neurodegenerative diseases SANOFI-SYNTHELABO (FR) 2004-09-08 EP 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
EP-1603915-A1 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) 2005-12-14 EP disclosed
WO-2004078760-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 AND THEIR USE AGAINST NEUROGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2004-09-16 WO disclosed
EP-1454909-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 and their use against neurodegenerative diseases SANOFI-SYNTHELABO (FR) 2004-09-08 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-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 4/4885CYP1A2 3268/4885CYP2D6 3323/4885
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 4/4885CYP1A2 3048/4885CYP2D6 3426/4885

“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.