SCHEMBL4420971

SCHEMBL4420971

CN1CCC2(CC1)CCn1c(nc(-c3ccncc3)cc1=O)N2C[C@@H](O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.52
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
GAA P10253 1/20 0.40
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL4423184 0.94 GSK3B (0.50) GSK3BCYP1A2CYP2D6GAAPIK3R1
SCHEMBL4423179 0.94 GSK3B (0.50) GSK3BCYP1A2CYP2D6GAAPIK3R1
SCHEMBL3365321 0.94 GSK3B (0.50) GSK3BCYP1A2CYP2D6PIK3R1PIK3CA
SCHEMBL3366954 0.92 GSK3B (0.48) GSK3BCYP1A2CYP2D6PIK3R1PIK3CA
SCHEMBL3364502 0.92 GSK3B (0.48) GSK3BCYP1A2CYP2D6PIK3R1PIK3CA
SCHEMBL3366917 0.92 GSK3B (0.48) GSK3BCYP1A2CYP2D6PIK3R1PIK3CA
SCHEMBL3366822 0.92 GSK3B (0.48) GSK3BCYP1A2CYP2D6PIK3R1PIK3CA
SCHEMBL5554356 0.90 GSK3B (0.46) GSK3BCYP1A2CYP2D6PIK3R1PIK3CA
SCHEMBL5554351 0.90 GSK3B (0.46) GSK3BCYP1A2CYP2D6PIK3R1PIK3CA
SCHEMBL4871119 0.88 GSK3B (0.51) GSK3BCYP1A2CYP2D6PIK3R1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081820-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-04-03 US claimed
EP-1699795-B1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKLYMINE]-PYRIMIDO[1,2A]PYRIMIDIN-6-ONE DERIVATIVES SANOFI AVENTIS (FR) 2007-04-25 EP claimed
EP-1557417-B1 Substituted 8'-pyri(mi)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2-a] pyrimidin-6-one derivatives SANOFI AVENTIS (FR) 2007-03-07 EP claimed
EP-1557417-A1 Substituted 8'-pyri(mi)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2a] pyrimidin-6-one derivatives Sanofi-Aventis (FR) 2005-07-27 EP claimed
US-7547705-B2 Substituted 8′-pyri(MI)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2-a]pyrimidin-6-one derivatives SANOFI-AVENTIS (FR) 2009-06-16 US disclosed
US-20080081820-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-04-03 US disclosed
EP-1572203-B1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS HOFFMANN LA ROCHE (CH) 2007-11-07 EP disclosed
EP-1699795-B1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKLYMINE]-PYRIMIDO[1,2A]PYRIMIDIN-6-ONE DERIVATIVES SANOFI AVENTIS (FR) 2007-04-25 EP disclosed
EP-1557417-B1 Substituted 8'-pyri(mi)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2-a] pyrimidin-6-one derivatives SANOFI AVENTIS (FR) 2007-03-07 EP disclosed
US-7109225-B2 Antidiabetic agents; hypotensive agents; anticholesterol agents; antilipemic agents; antiinflammatory agents; antiproliferative agents HOFMANN-LA ROCHE INC. (US) 2006-09-19 US disclosed
EP-1557417-A1 Substituted 8'-pyri(mi)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2a] pyrimidin-6-one derivatives Sanofi-Aventis (FR) 2005-07-27 EP disclosed
US-20040157898-A1 Novel substituted oxazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-08-12 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-20040157898-A1 Novel substituted oxazole derivatives OXA1L, SLC5A1, GPR119 GSK3B 687/4885CYP1A2 112/4885CYP2D6 103/4885
US-20080081820-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES GSK3B, GSK3A, PSEN1 GSK3B 1/4885CYP1A2 1683/4885CYP2D6 1733/4885

“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.