SCHEMBL4418564

SCHEMBL4418564

O=C(c1cccc(F)c1)N1CCC2(CC1)CCn1c(nc(-c3ccncc3)cc1=O)N2C[C@@H](O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.46
CYP2D6 P10635 11/20 0.46
CYP1A2 P05177 9/20 0.46
CYP2C9 P11712 8/20 0.46
CYP2C19 P33261 6/20 0.46
USP2 O75604 9/20 0.46
ALDH1A1 P00352 6/20 0.46
TSHR P16473 5/20 0.46
HIF1A Q16665 4/20 0.46
MAPK1 P28482 2/20 0.42
GSK3B P49841 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 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
SCHEMBL4429171 0.95 CYP3A4 (0.44) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL4429173 0.95 CYP3A4 (0.44) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL4416894 0.90 CYP3A4 (0.47) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL5554356 0.86 GSK3B (0.46) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL5554351 0.86 GSK3B (0.46) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL4421801 0.86 GSK3B (0.45) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL4421808 0.86 GSK3B (0.45) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL3365321 0.85 GSK3B (0.50) CYP2D6CYP1A2GSK3B
SCHEMBL4425185 0.85 CYP2C9 (0.45) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL3364502 0.84 GSK3B (0.48) CYP2D6CYP1A2CYP2C9GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 CYP3A4 4202/4885CYP2D6 2197/4885CYP1A2 2136/4885

“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.