SCHEMBL23612486

SCHEMBL23612486

O=c1[nH]c2nccc(S)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
DAO P14920 2/20 0.43
ACHE P22303 1/20 0.41
GDA Q9Y2T3 1/20 0.41
BRAF P15056 11/20 0.39

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
SCHEMBL21895410 0.76 AURKA (0.45) BRD4DAOACHEGDABRAF
SCHEMBL30663492 0.76 DAO (0.72) BRD4DAOACHEGDABRAF
SCHEMBL16919105 0.76 BRD4 (0.44) BRD4DAOACHEGDABRAF
SCHEMBL29544574 0.76 DAO (0.72) BRD4DAOACHEGDABRAF
SCHEMBL1503032 0.76 BRD4 (0.48) BRD4DAOACHEGDABRAF
SCHEMBL30663486 0.76 DAO (0.72) BRD4DAOACHEGDABRAF
SCHEMBL19876250 0.76 DAO (0.72) BRD4DAOACHEGDABRAF
SCHEMBL19876224 0.76 DAO (0.72) BRD4DAOACHEGDABRAF
SCHEMBL17365232 0.73 BRD4 (0.46) BRD4DAOACHEGDABRAF
SCHEMBL12615886 0.72 BRD4 (0.44) BRD4DAOACHEGDABRAF

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-11053244-B1 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 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-11053244-B1 4-azaindole compounds TLR7, TLR9, TLR5 BRD4 704/4885DAO 1273/4885ACHE 2525/4885

“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.