SCHEMBL3014985

SCHEMBL3014985

CCOC(=O)c1ccc(-c2ccc(-c3ccc(F)cc3)n2Cc2cccc(N)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.59
CTSD P07339 2/20 0.57
APP P05067 6/20 0.53
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
CHRNA7 P36544 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL3016243 0.92 BACE1 (0.70) BACE1CTSDAPPMAPTNPC1
SCHEMBL3021454 0.83 BACE1 (0.84) BACE1CTSDAPP
SCHEMBL3020997 0.74 BACE1 (1.00) BACE1CTSDAPPMAPTALDH1A1
SCHEMBL3014874 0.74 BACE1 (1.00) BACE1CTSDAPP
SCHEMBL5260948 0.73 NPC1 (0.53) BACE1MAPTNPC1RAB9AALDH1A1
SCHEMBL7365076 0.72 KMT2A (0.69) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL3014975 0.71 BACE1 (1.00) BACE1CTSDAPP
SCHEMBL3018386 0.71 BACE1 (1.00) BACE1CTSDAPP
SCHEMBL4570567 0.71 KMT2A (0.75) MAPTNPC1RAB9AALDH1A1NPSR1
SCHEMBL62862 0.71 KMT2A (0.75) MAPTNPC1RAB9AALDH1A1NPSR1

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
CN-101111489-A Amino-pyridines as inhibitors of beta-secretase WYETH CORP (US) 2008-01-23 CN 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
CN-101111489-A Amino-pyridines as inhibitors of beta-secretase WYETH CORP (US) 2008-01-23 CN 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.