SCHEMBL25719829

SCHEMBL25719829

Cc1cc(C#N)sc1CN

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.33
NR3C1 P04150 3/20 0.33
NR3C2 P08235 3/20 0.33
AR P10275 3/20 0.33
PNMT P11086 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
SCHEMBL12763788 0.82 KDM4E (0.34) PGRNR3C1NR3C2ARPNMT
SCHEMBL13515593 0.80 PGR (0.33) PGRNR3C1NR3C2ARPNMT
SCHEMBL25719812 0.76
SCHEMBL13620942 0.72
SCHEMBL16020334 0.72
SCHEMBL24137455 0.68
SCHEMBL2065243 0.68
SCHEMBL22091075 0.68
SCHEMBL25699160 0.68 PGR (0.36) PGRNR3C1NR3C2AR
SCHEMBL16020339 0.67 GAA (0.36)

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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 PGR 4235/4885NR3C1 385/4885NR3C2 197/4885

“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.