SCHEMBL25858357

SCHEMBL25858357

CC(=O)N1C[C@H]2C[C@@H]1CN2c1nnc(Br)s1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 3/20 0.36
GLS O94925 1/20 0.34
HTR1D P28221 1/20 0.34
ENPP2 Q13822 1/20 0.32
LTA4H P09960 4/20 0.32

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
SCHEMBL21737952 1.00 MAP3K12 (0.36) MAP3K12GLSHTR1DENPP2LTA4H
SCHEMBL21738004 0.82 PARP1 (0.44)
SCHEMBL21737995 0.82 PARP1 (0.44)
SCHEMBL25858352 0.74 POLB (0.30)
SCHEMBL21738242 0.74 GLS (0.36) GLS
SCHEMBL25858379 0.74 CHRNB2 (0.36) GLS
SCHEMBL21423871 0.72 ATM (0.45) MAP3K12LTA4H
SCHEMBL21424276 0.72 ATM (0.45) MAP3K12LTA4H
SCHEMBL21738024 0.70 GLS (0.32) GLSHTR1D
SCHEMBL25858337 0.70 GLS (0.32) GLSHTR1D

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 2 patents. 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
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 MAP3K12 83/4885GLS 2423/4885HTR1D 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.