SCHEMBL4237703

SCHEMBL4237703

CN1C(=O)C(c2ccccc2)(c2cccc(-c3ccncc3)c2)NC1(N)OC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.44
BACE2 Q9Y5Z0 8/20 0.42
CTSD P07339 7/20 0.42
MGLL Q99685 1/20 0.34
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL4232737 0.94 BACE1 (0.38) BACE1BACE2CTSD
SCHEMBL4240278 0.91 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL4232074 0.91 DHODH (0.36) BACE1BACE2CTSDMGLL
SCHEMBL4227283 0.90 BACE1 (0.39) BACE1BACE2CTSD
SCHEMBL4232217 0.90 HSD11B1 (0.36) BACE1BACE2CTSD
SCHEMBL4242601 0.90 PTPN5 (0.35) BACE1BACE2CTSD
SCHEMBL4236897 0.89 BACE1 (0.34) BACE1BACE2CTSD
SCHEMBL4234507 0.89 BACE1 (0.35) BACE1
SCHEMBL4235513 0.88 BACE1 (0.38) BACE1BACE2CTSD
SCHEMBL4228722 0.88 MAPT (0.36) BACE1BACE2CTSD

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
US-20090176850-A1 Novel 2-Amino-Imidazole-4-One Compounds And Their Use In The Manufacture Of A Medicament To Be Used In The Treatment Of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration And Dementia ASTRAZENECA AB (SE) 2009-07-09 US claimed
US-20090176850-A1 Novel 2-Amino-Imidazole-4-One Compounds And Their Use In The Manufacture Of A Medicament To Be Used In The Treatment Of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration And Dementia ASTRAZENECA AB (SE) 2009-07-09 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-20090176850-A1 Novel 2-Amino-Imidazole-4-One Compounds And Their Use In The Manufacture Of A Medicament To Be Used In The Treatment Of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration And Dementia PSEN2, MAPT, PSEN1 BACE1 7/4885BACE2 26/4885CTSD 2973/4885

“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.