SCHEMBL10329937

SCHEMBL10329937

Cc1cncc(-c2ccc([C@]3(C)CS(=O)(=O)N(C)C(=N)N3)s2)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.36
BACE2 Q9Y5Z0 14/20 0.35
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL10329041 0.90 BACE1 (0.40) BACE1BACE2
SCHEMBL10329061 0.88 BACE1 (0.51) BACE1BACE2
SCHEMBL10329986 0.82 BACE1 (0.44) BACE1BACE2
SCHEMBL10329065 0.82 BACE1 (0.50) BACE1BACE2
SCHEMBL10329906 0.82 BACE1 (0.40) BACE1BACE2
SCHEMBL10329911 0.82 BACE1 (0.40) BACE1BACE2
SCHEMBL10329912 0.80 BACE1 (0.39) BACE1BACE2
SCHEMBL10329049 0.78 BACE1 (0.38) BACE1BACE2MAPK11MAPK14
SCHEMBL10329048 0.78 PRF1 (0.37) BACE1BACE2
SCHEMBL10329996 0.78 BACE1 (0.43) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 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-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885MAPK13 4701/4885

“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.