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SCHEMBL4421963

SCHEMBL4421963

O=C(C1CCCCC1)N1CCC2(CCn3c(nc(-c4ccncc4)cc3=O)N2C[C@H](O)c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.40
▸ ACACB O00763 1/20 0.38
▸ ACACA Q13085 1/20 0.38
▸ PIK3R1 P27986 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ USP19 O94966 9/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ITGB3 P05106 2/20 0.34
▸ ITGA2B P08514 2/20 0.34

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
SCHEMBL4421961 1.00 GSK3B (0.40) GSK3BACACBACACAPIK3R1PIK3CA
SCHEMBL4430874 0.98 GSK3B (0.41) GSK3BACACBACACAPIK3R1PIK3CA
SCHEMBL4430878 0.98 GSK3B (0.41) GSK3BACACBACACAPIK3R1PIK3CA
SCHEMBL4421905 0.96 GSK3B (0.42) GSK3BPIK3R1PIK3CAUSP19ITGB3
SCHEMBL4421910 0.96 GSK3B (0.42) GSK3BPIK3R1PIK3CAUSP19ITGB3
SCHEMBL4421614 0.95 GSK3B (0.41) GSK3BACACBACACAPIK3R1PIK3CA
SCHEMBL4422349 0.93 GSK3B (0.42) GSK3BACACBACACAPIK3R1PIK3CA
SCHEMBL5554655 0.91 GSK3B (0.43) GSK3BACACBACACAPIK3R1PIK3CA
SCHEMBL4425226 0.90 GSK3B (0.41) GSK3BPIK3R1PIK3CACNR1CNR2
SCHEMBL4425230 0.90 GSK3B (0.41) GSK3BPIK3R1PIK3CACNR1CNR2

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 6 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
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 1/4885ACACB 1572/4885ACACA 707/4885

“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.