SCHEMBL3716567

SCHEMBL3716567

COc1nc(Nc2ccc3c(n2)OC(c2ccccc2)CN(C)C3)ccc1-c1ccc(=O)n(C)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
CREBBP Q92793 3/20 0.32
CYP19A1 P11511 1/20 0.31
MAOB P27338 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SCD O00767 1/20 0.30
SCD5 Q86SK9 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL3716564 1.00 BRD4 (0.34) BRD4CREBBPCYP19A1MAOBSLC6A2
SCHEMBL3706768 0.86 PSEN1 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL3706764 0.86 PSEN1 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL3709760 0.83 ROCK2 (0.39)
SCHEMBL3702628 0.83 IRAK4 (0.32)
SCHEMBL3697562 0.83 CREBBP (0.32) CREBBPPDE10A
SCHEMBL3707149 0.81 PSEN1 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL3708508 0.80 SCD (0.35) SCD
SCHEMBL3709120 0.77 PSEN1 (0.46)
SCHEMBL3709129 0.77 PSEN1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 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 (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-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 BRD4 3621/4885CREBBP 646/4885CYP19A1 3615/4885

“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.