SCHEMBL4424321

SCHEMBL4424321

O=C(CN1c2nc(-c3ccncn3)cc(=O)n2CCC12CCN(C(=O)c1cccc(F)c1)C2)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.43
CYP3A4 P08684 14/20 0.41
CYP2C9 P11712 10/20 0.41
ALDH1A1 P00352 9/20 0.41
CYP2C19 P33261 7/20 0.41
USP2 O75604 6/20 0.41
CYP2D6 P10635 13/20 0.40
CYP1A2 P05177 8/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 7/20 0.40
HIF1A Q16665 3/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL4421808 0.90 GSK3B (0.45) GSK3BCYP3A4CYP2C9ALDH1A1CYP2C19
SCHEMBL4421801 0.90 GSK3B (0.45) GSK3BCYP3A4CYP2C9ALDH1A1CYP2C19
SCHEMBL4425185 0.90 CYP2C9 (0.45) GSK3BCYP3A4CYP2C9ALDH1A1CYP2C19
SCHEMBL5560272 0.89 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL5560279 0.89 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL5554290 0.86 GSK3B (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL5554282 0.86 GSK3B (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL4420589 0.85 GSK3B (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL4416894 0.85 CYP3A4 (0.47) GSK3BCYP3A4CYP2C9ALDH1A1CYP2C19
SCHEMBL4552623 0.85 GSK3B (0.43) GSK3BCYP2D6CYP1A2

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 1/4885CYP3A4 4202/4885CYP2C9 3788/4885

“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.