SCHEMBL4639744

SCHEMBL4639744

CCOC(OCC)c1cc(=O)n(C)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.41
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4640806 0.75 POLB (0.36) KDM4EMEN1KMT2AALDH1A1
SCHEMBL4639669 0.71 BACE1 (0.50) BACE1KDM4E
SCHEMBL6403829 0.68 BACE1 (0.49) BACE1KDM4E
SCHEMBL11102202 0.67 GAA (0.41)
SCHEMBL27370401 0.66 BACE1 (0.47) BACE1KDM4EALDH1A1
SCHEMBL27794355 0.66 BACE1 (0.43) BACE1KDM4EALDH1A1
SCHEMBL5662165 0.65 BACE1 (0.46) BACE1KDM4E
SCHEMBL5334890 0.65 BACE1 (0.58) BACE1KDM4EALDH1A1
SCHEMBL8264939 0.64 BACE1 (0.61) BACE1KMT2AALDH1A1
SCHEMBL1126152 0.63 SCN3A (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318985-A1 Novel 2-Aminopyrimidinone Or 2-Aminopyridinone Derivatives and Their Use ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318985-A1 Novel 2-Aminopyrimidinone Or 2-Aminopyridinone Derivatives and Their Use ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318985-A1 Novel 2-Aminopyrimidinone Or 2-Aminopyridinone Derivatives and Their Use ASTRAZENECA AB (SE) 2008-12-25 US disclosed
EP-1951682-A1 NOVEL 2-AMINOPYRIMIDINONE OR 2-AMINOPYRIDINONE DERIVATIVES AND THEIR USE Astra Zeneca AB (SE) 2008-08-06 EP disclosed
WO-2007058582-A1 NOVEL 2-AMINOPYRIMIDINONE OR 2-AMINOPYRIDINONE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2007-05-24 WO disclosed
WO-2007058582-A1 NOVEL 2-AMINOPYRIMIDINONE OR 2-AMINOPYRIDINONE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2007-05-24 WO 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-20080318985-A1 Novel 2-Aminopyrimidinone Or 2-Aminopyridinone Derivatives and Their Use PSEN2, PSEN1, GRIN2D BACE1 12/4885KDM4E 1484/4885MEN1 3800/4885

“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.