SCHEMBL3016243

SCHEMBL3016243

CCOC(=O)c1ccc(-c2ccc(-c3ccccc3)n2Cc2cccc(N)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.70
CTSD P07339 2/20 0.68
APP P05067 7/20 0.65
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3014985 0.92 BACE1 (0.59) BACE1CTSDAPPRAB9ANPC1
SCHEMBL3020997 0.83 BACE1 (1.00) BACE1CTSDAPPALDH1A1MAPT
SCHEMBL3014874 0.82 BACE1 (1.00) BACE1CTSDAPP
SCHEMBL3018386 0.81 BACE1 (1.00) BACE1CTSDAPP
SCHEMBL3014975 0.79 BACE1 (1.00) BACE1CTSDAPP
SCHEMBL3022226 0.76 BACE1 (0.79) BACE1CTSDAPP
SCHEMBL3020820 0.76 BACE1 (1.00) BACE1CTSDAPPRAB9ANPC1
SCHEMBL3008359 0.75 BACE1 (1.00) BACE1CTSDAPPRAB9ANPC1
SCHEMBL3021454 0.74 BACE1 (0.84) BACE1CTSDAPP
SCHEMBL5260948 0.74 NPC1 (0.53) BACE1RARARARBRARGRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204245-A1 Amino-pyridines As Inhibitors Of Beta-secretase WYETH LLC (US) 2010-08-12 US claimed
EP-1844035-A1 AMINO-PYRIDINES AS INHIBITORS OF BETA-SECRETASE Wyeth (US) 2007-10-17 EP claimed
WO-2006083760-A1 AMINO-PYRIDINES AS INHIBITORS OF β-SECRETASE WYETH (US) 2006-08-10 WO claimed
US-20060173049-A1 enzyme inhibitors such as 6-{2-(2-Chloro-phenyl)-5-[4-(pyrimidin-2-yloxy)-phenyl]pyrrol-1-ylmethyl}-pyridin-2-ylamine, used to treat beta-amyloid deposits and neurofibrillary tangles; Alzheimer's disease WYETH (US) 2006-08-03 US claimed
US-20100204245-A1 Amino-pyridines As Inhibitors Of Beta-secretase WYETH LLC (US) 2010-08-12 US disclosed
US-7732457-B2 Amino-pyridines as inhibitors of β-secretase WYETH LLC (US) 2010-06-08 US disclosed
US-20060173049-A1 enzyme inhibitors such as 6-{2-(2-Chloro-phenyl)-5-[4-(pyrimidin-2-yloxy)-phenyl]pyrrol-1-ylmethyl}-pyridin-2-ylamine, used to treat beta-amyloid deposits and neurofibrillary tangles; Alzheimer's disease WYETH (US) 2006-08-03 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-20100204245-A1 Amino-pyridines As Inhibitors Of Beta-secretase BACE1, BACE2, APP BACE1 1/4885CTSD 205/4885APP 3/4885
US-20060173049-A1 enzyme inhibitors such as 6-{2-(2-Chloro-phenyl)-5-[4-(pyrimidin-2-yloxy)-phenyl]pyrrol-1-ylmethyl}-pyridin-2-ylamine, used to treat beta-amyloid deposits and neurofibrillary tangles; Alzheimer's disease BACE1, BACE2, PSEN1 BACE1 1/4885CTSD 126/4885APP 4/4885

“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.