SCHEMBL4133983

SCHEMBL4133983

Cn1c(N)nc(-c2ccccc2Br)cc1=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.55
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PTPN1 P18031 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
PSD A5PKW4 1/20 0.40
HSD11B1 P28845 1/20 0.39

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
SCHEMBL4148126 0.83 BACE1 (0.57) BACE1HSD17B10KDM4E
SCHEMBL4493177 0.79 BACE1 (0.63) BACE1HSD17B10KDM4E
SCHEMBL4146188 0.79 BACE1 (0.67) BACE1KDM4EDPP4
SCHEMBL28765025 0.79 BACE1 (0.49) BACE1
SCHEMBL4512474 0.76 BACE1 (0.64) BACE1
SCHEMBL4145978 0.74 BACE1 (0.64) BACE1
SCHEMBL4508981 0.74 BACE1 (0.67) BACE1KDM4E
SCHEMBL4639683 0.73 BACE1 (0.43) BACE1KDM4EHSD11B1
SCHEMBL12207381 0.71 GSK3B (0.52) BACE1
SCHEMBL4142484 0.71 BACE1 (1.00) BACE1KDM4E

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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
CN-101084198-A Substituted amino-pyrimidones and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN disclosed
CN-101084199-A Substituted amino-compounds and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN disclosed
EP-1802587-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 BACE1 3/4885HSD17B10 2053/4885KDM4E 3305/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885HSD17B10 2806/4885KDM4E 3237/4885

“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.