SCHEMBL8239236

SCHEMBL8239236

COc1cccc(-c2cccc(CCc3cnc(N)[nH]c3=O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.53
DAO P14920 2/20 0.44
DHFR P00374 1/20 0.43
MAOB P27338 2/20 0.42
DHODH Q02127 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ABCB1 P08183 2/20 0.42
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42

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
Trifluoroacetic Acid SCHEMBL4242083 0.91 BACE1 (0.52) BACE1DHODHKDM4EALDH1A1
SCHEMBL7716692 0.80 QTRT1 (0.52) DAODHODHABCB1
SCHEMBL8237842 0.79 BACE1 (0.62) BACE1DHFRMAOBABCB1HTR1A
SCHEMBL4245709 0.76 AOC3 (0.54) BACE1DAODHFR
SCHEMBL16324218 0.72 NPY5R (0.60) KDM4E
Trifluoroacetic Acid SCHEMBL4245228 0.72 BACE1 (0.56) BACE1
SCHEMBL7716578 0.71 PLA2G7 (0.48) ALDH1A1
SCHEMBL17779986 0.71 BACE1 (0.62) BACE1MAOBABCB1HTR1ADRD2
SCHEMBL7712389 0.70 MAPT (0.49) KDM4EALDH1A1
SCHEMBL4941238 0.69 BACE1 (1.00) BACE1DHFRMAOB

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
US-20090215801-A9 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB, SODERTAIJE, SWEDENASTEX THEREAPEUTICS LTD (GB) 2009-08-27 US disclosed
US-20090215801-A9 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB, SODERTAIJE, SWEDENASTEX THEREAPEUTICS LTD (GB) 2009-08-27 US disclosed
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB (SE) 2008-10-16 US disclosed
WO-2007058580-A1 NOVEL 2-AMINOPYRIMIDINONE 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 (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-20090215801-A9 Novel 2-Aminopyrimidinone Derivatives And Their Use PSEN2, PSEN1, MAPT BACE1 9/4885DAO 423/4885DHFR 2514/4885
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use PSEN2, PSEN1, MAPT BACE1 9/4885DAO 423/4885DHFR 2514/4885

“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.