SCHEMBL4430878

SCHEMBL4430878

O=C(C1CCC1)N1CCC2(CCn3c(nc(-c4ccncc4)cc3=O)N2C[C@H](O)c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.41
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
USP19 O94966 4/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
CYP2C9 P11712 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 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
SCHEMBL4430874 1.00 GSK3B (0.41) GSK3BPIK3R1PIK3CAUSP19ITGB3
SCHEMBL4421963 0.98 GSK3B (0.40) GSK3BPIK3R1PIK3CAUSP19ITGB3
SCHEMBL4421961 0.98 GSK3B (0.40) GSK3BPIK3R1PIK3CAUSP19ITGB3
SCHEMBL4421910 0.97 GSK3B (0.42) GSK3BPIK3R1PIK3CAUSP19ITGB3
SCHEMBL4421905 0.97 GSK3B (0.42) GSK3BPIK3R1PIK3CAUSP19ITGB3
SCHEMBL4422349 0.95 GSK3B (0.42) GSK3BPIK3R1PIK3CAUSP19ITGB3
SCHEMBL4421614 0.93 GSK3B (0.41) GSK3BPIK3R1PIK3CAUSP19ACACB
SCHEMBL5554655 0.92 GSK3B (0.43) GSK3BPIK3R1PIK3CAUSP19ITGB3
SCHEMBL4427896 0.90 GSK3B (0.41) GSK3BPIK3R1PIK3CACYP1A2CYP2D6
SCHEMBL4427899 0.90 GSK3B (0.41) GSK3BPIK3R1PIK3CACYP1A2CYP2D6

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 1/4885PIK3R1 218/4885PIK3CA 175/4885

“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.