SCHEMBL429394

SCHEMBL429394

CN1C(=O)C2(N=C1N)c1cc(-c3cccnc3F)ccc1CC(C)(C)C2(F)F

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.71
CTSD P07339 9/20 0.68
CTSB P07858 4/20 0.53
BACE2 Q9Y5Z0 1/20 0.53

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
SCHEMBL7893721 0.83 BACE1 (1.00) BACE1CTSD
SCHEMBL12747270 0.83 BACE1 (1.00) BACE1CTSD
SCHEMBL12747268 0.83 BACE1 (1.00) BACE1CTSD
SCHEMBL7888221 0.81 BACE1 (1.00) BACE1
SCHEMBL430542 0.81 BACE1 (0.66) BACE1CTSDCTSBBACE2
SCHEMBL427887 0.81 BACE1 (1.00) BACE1CTSD
SCHEMBL430513 0.81 BACE1 (1.00) BACE1CTSD
SCHEMBL428044 0.79 BACE1 (0.63) BACE1CTSD
SCHEMBL448861 0.77 BACE1 (0.79) BACE1CTSDCTSB
SCHEMBL429131 0.77 BACE1 (0.79) BACE1CTSDCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 BACE1 2/4885CTSD 427/4885CTSB 263/4885

“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.