SCHEMBL4427896

SCHEMBL4427896

O=C(C1CCC1)N1CCC2(CCn3c(nc(-c4ccncn4)cc3=O)N2C[C@@H](O)c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.41
CYP2D6 P10635 4/20 0.38
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL4427899 1.00 GSK3B (0.41) GSK3BCYP2D6PIK3R1PIK3CACYP1A2
SCHEMBL4425226 0.98 GSK3B (0.41) GSK3BCYP2D6PIK3R1PIK3CACYP1A2
SCHEMBL4425230 0.98 GSK3B (0.41) GSK3BCYP2D6PIK3R1PIK3CACYP1A2
SCHEMBL4421015 0.97 GSK3B (0.42) GSK3BCYP2D6PIK3R1PIK3CACYP1A2
SCHEMBL4421017 0.97 GSK3B (0.42) GSK3BCYP2D6PIK3R1PIK3CACYP1A2
SCHEMBL4430874 0.90 GSK3B (0.41) GSK3BCYP2D6PIK3R1PIK3CACYP1A2
SCHEMBL4430878 0.90 GSK3B (0.41) GSK3BCYP2D6PIK3R1PIK3CACYP1A2
SCHEMBL4425837 0.90 GSK3B (0.43) GSK3BCYP2D6PIK3R1PIK3CACYP1A2
SCHEMBL4425851 0.90 GSK3B (0.43) GSK3BCYP2D6PIK3R1PIK3CACYP1A2
SCHEMBL4425855 0.90 GSK3B (0.43) GSK3BCYP2D6PIK3R1PIK3CACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294631-B2 Substituted 8′-pyri(MI)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2-a]pyrimidin-6-one derivatives SANOFI-AVENTIS (FR) 2007-11-13 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
US-20070010539-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-01-11 US 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-7294631-B2 Substituted 8′-pyri(MI)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2-a]pyrimidin-6-one derivatives SANOFI-AVENTIS (FR) 2007-11-13 US 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
US-20070010539-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-01-11 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 (1 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-20070010539-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES GSK3B, GSK3A, PSEN1 GSK3B 1/4885CYP2D6 2197/4885PIK3R1 218/4885

“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.