SCHEMBL3359520

SCHEMBL3359520

COc1ccc(C2(c3cccc(Br)c3)NC(N)c3ncc(C)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.36
RXFP1 Q9HBX9 1/20 0.33
CTSD P07339 2/20 0.32
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31
EGFR P00533 1/20 0.31
KCNH2 Q12809 1/20 0.31
RORC P51449 1/20 0.30
LMNA P02545 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL3769871 0.85 BACE1 (0.37) BACE1RXFP1CTSDEGFRKCNH2
SCHEMBL3358908 0.84 BACE1 (0.50) BACE1CTSDKCNH2
SCHEMBL3358013 0.73 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3635544 0.72 BACE1 (0.53) BACE1CTSDKCNH2
SCHEMBL3361382 0.72 CTSD (0.35) BACE1CTSDSLC6A4KDM4EMEN1
SCHEMBL3638143 0.71 BACE1 (0.51) BACE1CTSDKCNH2
SCHEMBL3359518 0.71 BACE1 (0.48) BACE1CTSDKCNH2
SCHEMBL3635663 0.71 BACE1 (0.45) BACE1CTSDKCNH2
SCHEMBL3777045 0.70 NPSR1 (0.30) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3358017 0.70 PDE4A (0.31)

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
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 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-20100125081-A1 NEW COMPOUNDS 574 PSEN1, PSEN2, BACE1 BACE1 3/4885RXFP1 3543/4885CTSD 413/4885

“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.