SCHEMBL4420489

SCHEMBL4420489

O=C(CN1c2nc(-c3ccncc3)cc(=O)n2CCC12CCN(C(=O)C1CCC1)CC2)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.40
ACACB O00763 5/20 0.39
ACACA Q13085 5/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP19 O94966 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4420806 0.98 ACACB (0.42) GSK3BACACBACACAALDH1A1KDM4E
SCHEMBL5559490 0.97 GSK3B (0.41) GSK3BACACBACACAALDH1A1KDM4E
SCHEMBL4424995 0.95 GSK3B (0.39) GSK3BACACBACACAALDH1A1KDM4E
SCHEMBL4424997 0.93 ACACB (0.39) GSK3BACACBACACAALDH1A1KDM4E
SCHEMBL4422560 0.92 GSK3B (0.40) GSK3BACACBACACAALDH1A1KDM4E
SCHEMBL5554395 0.89 GSK3B (0.44) GSK3BALDH1A1USP19CYP2C9CYP1A2
SCHEMBL3364367 0.89 GSK3B (0.46) GSK3BALDH1A1CYP2C9CYP1A2CYP2D6
SCHEMBL3368275 0.89 GSK3B (0.46) GSK3BALDH1A1KMT2AUSP19CYP2C9
SCHEMBL3366965 0.89 GSK3B (0.47) GSK3BALDH1A1CYP2C9CYP1A2CYP2D6
SCHEMBL4422349 0.88 GSK3B (0.42) GSK3BACACBACACAALDH1A1USP19

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
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
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.