SCHEMBL25858337

SCHEMBL25858337

CC(=O)N[C@H]1C[C@@H]2C[C@H]1CN2c1nnc(Br)s1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.32
NR1H4 Q96RI1 1/20 0.32
HTR1D P28221 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
SCHEMBL21738024 1.00 GLS (0.32) GLSNR1H4HTR1D
SCHEMBL25858342 0.74 GLS (0.32) GLS
SCHEMBL25858341 0.74 GLS (0.34) GLS
SCHEMBL21738234 0.72 GLS (0.39) GLS
SCHEMBL21738025 0.72 GLS (0.39) GLS
SCHEMBL21737952 0.70 MAP3K12 (0.36) GLSHTR1D
SCHEMBL25858357 0.70 MAP3K12 (0.36) GLSHTR1D
SCHEMBL21738022 0.70 GLS (0.41) GLS
SCHEMBL21738028 0.70 GLS (0.41) GLS
SCHEMBL25859708 0.70 GLS (0.41) GLS

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 2423/4885NR1H4 246/4885HTR1D 1651/4885

“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.