SCHEMBL4149461

SCHEMBL4149461

COc1cccc(-c2cccc(-c3cc(=O)n(C)c(N)n3)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.71
TLR8 Q9NR97 1/20 0.52
BRD4 O60885 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL4145978 0.86 BACE1 (0.64) BACE1TLR8BRD4MEN1KMT2A
SCHEMBL4508981 0.85 BACE1 (0.67) BACE1
SCHEMBL4136983 0.83 BACE1 (1.00) BACE1
SCHEMBL4134810 0.82 BACE1 (0.85) BACE1
SCHEMBL27702335 0.81 BACE1 (0.49) BACE1TLR8ADORA1
SCHEMBL4512841 0.80 BACE1 (0.72) BACE1TLR8BRD4
SCHEMBL4134504 0.79 BACE1 (0.81) BACE1
SCHEMBL4493177 0.78 BACE1 (0.63) BACE1ADORA1
SCHEMBL4640096 0.78 BACE1 (0.57) BACE1BRD4MEN1KMT2A
SCHEMBL4639694 0.78 BACE1 (0.57) BACE1BRD4MEN1KMT2A

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 2 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

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 3/4885TLR8 4136/4885BRD4 3927/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885TLR8 4240/4885BRD4 2822/4885

“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.