SCHEMBL25858379

SCHEMBL25858379

CC(=O)N1CC2CC(C1)N2c1nnc(Br)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
CHRNB4 P30926 2/20 0.33
CHRNA7 P36544 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33
GLS O94925 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL25858383 0.91 GLS (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21737962 0.87 KDM4E (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21737999 0.81 NR1H2 (0.41) KDM4EGLS
SCHEMBL21738242 0.76 GLS (0.36) GLSRAB9A
SCHEMBL21737952 0.74 MAP3K12 (0.36) GLS
SCHEMBL25858357 0.74 MAP3K12 (0.36) GLS
SCHEMBL21738237 0.72 MEN1 (0.41) KDM4EGLS
SCHEMBL21738236 0.72 MEN1 (0.41) KDM4EGLS
SCHEMBL21738056 0.71 HDAC3 (0.52) GLSNPC1RAB9AHDAC3HDAC4
SCHEMBL21738026 0.71 ALDH1A1 (0.35) 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 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 CHRNB2 4634/4885CHRNA3 4268/4885CHRNA4 3221/4885

“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.