SCHEMBL4420810

SCHEMBL4420810

O=C(c1cccc(F)c1)N1CCC2(CCn3c(nc(-c4ccncn4)cc3=O)N2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 11/20 0.46
CYP2C19 P33261 9/20 0.46
CYP3A4 P08684 15/20 0.44
CYP2D6 P10635 10/20 0.44
CYP1A2 P05177 9/20 0.44
ALDH1A1 P00352 9/20 0.44
TSHR P16473 6/20 0.44
HSD17B10 Q99714 6/20 0.44
HPGD P15428 4/20 0.44
HIF1A Q16665 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
USP2 O75604 4/20 0.42
GSK3B P49841 3/20 0.41

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
SCHEMBL4420558 0.85 GSK3B (0.39) CYP2D6GSK3B
SCHEMBL4420553 0.85 GSK3B (0.39) CYP2D6GSK3B
SCHEMBL5559168 0.80 GSK3B (0.40) ALDH1A1HPGDGSK3B
SCHEMBL5559165 0.80 GSK3B (0.40) ALDH1A1HPGDGSK3B
SCHEMBL4424321 0.78 GSK3B (0.43) CYP2C9CYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL4421808 0.77 GSK3B (0.45) CYP2C9CYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL4421801 0.77 GSK3B (0.45) CYP2C9CYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL4421898 0.76 GSK3B (0.53) CYP2D6CYP1A2GSK3B
SCHEMBL4416863 0.74 GSK3B (0.42) GSK3B
SCHEMBL3560210 0.72 GSK3B (0.47) CYP2D6CYP1A2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP2C9 3788/4885CYP2C19 3123/4885CYP3A4 4202/4885

“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.