SCHEMBL25784102

SCHEMBL25784102

CC(C)(C)[Si](=O)/N=C(\CCC1CC1)c1cccc(C#N)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33
AHR P35869 1/20 0.32
CNR2 P34972 1/20 0.31
MGLL Q99685 1/20 0.31
DRD4 P21917 1/20 0.30
CES1 P23141 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
SCHEMBL17064920 0.78 CTSK (0.33) CTSKMGLLDRD4
SCHEMBL17064922 0.78 CTSK (0.33) CTSKMGLLDRD4
SCHEMBL18623209 0.78 CTSK (0.33) CTSKMGLLDRD4
SCHEMBL21919218 0.76 GSK3B (0.39) DRD4
SCHEMBL21919223 0.76 MGLL (0.32) CTSKMGLL
SCHEMBL31067700 0.76 AHR (0.40) CTSKAHRCNR2MGLLDRD4
SCHEMBL17064418 0.76 AHR (0.40) CTSKAHRCNR2MGLLDRD4
SCHEMBL21919194 0.75 SIGMAR1 (0.38)
SCHEMBL17073502 0.73 CTSK (0.38) CTSKAHRCNR2MGLLDRD4
SCHEMBL25784088 0.71 MAPT (0.41)

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-11685721-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-06-27 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-11685721-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 CTSK 52/4885AHR 4449/4885CNR2 3388/4885

“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.