SCHEMBL25859744

SCHEMBL25859744

CC(=O)N[C@H]1CCCN(c2nnc(Br)s2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.49
BTK Q06187 1/20 0.48
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.41
HRH3 Q9Y5N1 3/20 0.40
SMPD3 Q9NY59 1/20 0.40
ROCK1 Q13464 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
EIF2AK4 Q9P2K8 1/20 0.39
TP53 P04637 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
SCHEMBL25859743 1.00 GLS (0.49) GLSBTKCA1CA2CA12
SCHEMBL21737956 0.92 GLS (0.57) GLSBTKMEN1POLBKMT2A
SCHEMBL21737961 0.92 GLS (0.57) GLSBTKMEN1POLBKMT2A
SCHEMBL21737949 0.91 GLS (0.48) GLSBTKCA1CA2CA12
SCHEMBL21724985 0.85 GLS (0.52) GLSTSHRHRH3SMPD3RAB9A
SCHEMBL21737994 0.83 BTK (0.52) BTKCA1CA2
SCHEMBL21737948 0.80 GLS (0.43) GLSMEN1POLBKMT2ATSHR
SCHEMBL21738017 0.79 GLS (0.50) GLSMEN1POLBKMT2ATSHR
SCHEMBL21738023 0.79 GLS (0.50) GLSMEN1POLBKMT2ATSHR
SCHEMBL25858331 0.79 GLS (0.50) GLSMEN1POLBKMT2ATSHR

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-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 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-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 GLS 2423/4885BTK 21/4885CA1 4810/4885

“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.