SCHEMBL4151433

SCHEMBL4151433

COc1cccc(-c2cc(C3(C)CC(=O)NC(N)=N3)ccc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.61
KCNH2 Q12809 6/20 0.43
CTSD P07339 2/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL13914790 0.89 BACE1 (0.51) BACE1KCNH2NCOA1NCOA3
SCHEMBL4142578 0.86 BACE1 (0.65) BACE1KCNH2CTSD
SCHEMBL8262643 0.85 BACE1 (0.64) BACE1
SCHEMBL4138980 0.82 BACE1 (0.76) BACE1
SCHEMBL4150737 0.77 BACE1 (1.00) BACE1KCNH2
SCHEMBL4140687 0.74 BACE1 (0.78) BACE1
SCHEMBL4146354 0.72 BACE1 (0.71) BACE1
SCHEMBL4155460 0.72 BACE1 (0.53) BACE1KCNH2
SCHEMBL4151589 0.71 BACE1 (0.69) BACE1
SCHEMBL4138874 0.71 BACE1 (0.57) BACE1KCNH2CTSDNCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US claimed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 BACE1 3/4885KCNH2 4675/4885CTSD 857/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885KCNH2 4460/4885CTSD 1616/4885

“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.