SCHEMBL3356799

SCHEMBL3356799

COc1ccc(C2(c3cccc(Br)c3)NC(N)c3cccnc32)cc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
SLC6A2 P23975 8/20 0.34
SLC6A4 P31645 8/20 0.34
HTR1A P08908 7/20 0.34
SLC6A3 Q01959 4/20 0.34
HTR2C P28335 2/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRND Q07001 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3356793 0.77 BACE1 (0.44) CTSDBACE1BACE2
SCHEMBL3358913 0.75 CTSD (0.31) CTSDBACE1PDE4D
SCHEMBL931249 0.75 BACE1 (0.45) CTSDBACE1BACE2
SCHEMBL7939980 0.74 BACE1 (0.44) CTSDBACE1BACE2MEN1NPC1
SCHEMBL3357418 0.71 BACE1 (0.46) CTSDBACE1BACE2
SCHEMBL3361382 0.71 CTSD (0.35) CTSDBACE1BACE2SLC6A4MEN1
SCHEMBL3358017 0.69 PDE4A (0.31) PKMPDE4D
SCHEMBL930738 0.69 BACE1 (0.33) BACE1SLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL930771 0.69 CHRNA1 (0.32) BACE1BACE2SLC6A2SLC6A4SLC6A3
SCHEMBL3356522 0.69

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
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

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 CTSD 413/4885BACE1 3/4885BACE2 10/4885

“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.