SCHEMBL2796157

SCHEMBL2796157

NC1=NC(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncc(F)c3)c2)C2=NOCCN12

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.70
CTSD P07339 16/20 0.70
BACE2 Q9Y5Z0 13/20 0.70
REN P00797 3/20 0.70

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
SCHEMBL4062952 0.87 BACE1 (0.82) BACE1CTSDBACE2REN
SCHEMBL2795200 0.84 BACE1 (0.60) BACE1CTSDBACE2REN
SCHEMBL2793832 0.83 BACE1 (1.00) BACE1CTSDBACE2REN
SCHEMBL13230584 0.82 BACE1 (0.75) BACE1CTSDBACE2REN
SCHEMBL4070131 0.78 BACE1 (0.81) BACE1CTSDBACE2REN
SCHEMBL4065191 0.78 BACE1 (0.81) BACE1CTSDBACE2REN
SCHEMBL4069674 0.78 BACE1 (0.81) BACE1CTSDBACE2REN
SCHEMBL4069358 0.78 BACE1 (1.00) BACE1CTSDBACE2REN
SCHEMBL4063633 0.78 BACE1 (1.00) BACE1CTSDBACE2REN
SCHEMBL4062702 0.78 BACE1 (1.00) BACE1CTSDBACE2REN

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-20100168091-A1 Imidazole Amines As Inhibitors Of Beta-secretase WYETH LLC (US) 2010-07-01 US claimed
US-20080051390-A1 Imidazole amines as inhibitors of beta-secretase WYETH (US) 2008-02-28 US claimed
US-20100168091-A1 Imidazole Amines As Inhibitors Of Beta-secretase WYETH LLC (US) 2010-07-01 US disclosed
US-7700606-B2 Imidazole amines as inhibitors of β-secretase WYETH LLC (US) 2010-04-20 US disclosed
EP-2054414-A2 IMIDAZOLE AMINES AS INHIBITORS OF BETA-SECRETASE Wyeth (US) 2009-05-06 EP disclosed
US-20080051390-A1 Imidazole amines as inhibitors of beta-secretase WYETH (US) 2008-02-28 US disclosed
WO-2008022024-A2 IMIDAZOLE AMINES AS INHIBITORS OF BETA-SECRETASE WYETH (US) 2008-02-21 WO 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-20100168091-A1 Imidazole Amines As Inhibitors Of Beta-secretase BACE1, BACE2, APP BACE1 1/4885CTSD 154/4885BACE2 2/4885
US-20080051390-A1 Imidazole amines as inhibitors of beta-secretase BACE1, BACE2, APP BACE1 1/4885CTSD 170/4885BACE2 2/4885

“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.