SCHEMBL4639669

SCHEMBL4639669

CCOC(OCC)c1cc(=O)[nH]c(N)n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.50
CYP3A4 P08684 1/20 0.47
BLM P54132 1/20 0.47
ABL1 P00519 2/20 0.44
RIN1 Q13671 2/20 0.44
KDM4E B2RXH2 1/20 0.44
XDH P47989 12/20 0.43

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
SCHEMBL6068512 0.76 MAPT (0.35) BACE1KDM4EXDH
SCHEMBL6068516 0.75 BACE1 (0.31) BACE1XDH
SCHEMBL31231913 0.74 CYP3A4 (0.57) BACE1CYP3A4BLMABL1RIN1
SCHEMBL4639744 0.71 BACE1 (0.41) BACE1KDM4E
SCHEMBL15971206 0.71 CYP3A4 (0.57) BACE1CYP3A4BLMABL1RIN1
SCHEMBL2217785 0.70 KDM4E (0.51) BACE1CYP3A4BLMABL1RIN1
SCHEMBL2403638 0.69 BACE1 (0.73) BACE1CYP3A4BLMABL1RIN1
SCHEMBL11102202 0.69 GAA (0.41)
SCHEMBL1616242 0.69 BACE1 (0.57) BACE1CYP3A4BLMABL1RIN1
SCHEMBL6068563 0.68 MAPK1 (0.48) BACE1CYP3A4BLMABL1RIN1

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 11 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
US-7087614-B2 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2006-08-08 US disclosed
EP-1397142-A4 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 BRISTOL MYERS SQUIBB CO (US) 2004-11-03 EP disclosed
EP-1397142-A2 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 Bristol-Myers Squibb Company (US) 2004-03-17 EP disclosed
US-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY 2003-08-28 US disclosed
WO-2002102313-A2 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-27 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 (2 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-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 PDE7A, PDE7B, PDE3A BACE1 1389/4885CYP3A4 2363/4885BLM 1007/4885
US-20080318985-A1 Novel 2-Aminopyrimidinone Or 2-Aminopyridinone Derivatives and Their Use PSEN2, PSEN1, GRIN2D BACE1 12/4885CYP3A4 2496/4885BLM 4203/4885

“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.