SCHEMBL22849080

SCHEMBL22849080

OC[C@H]1CC[C@H](n2cc3ccc(Br)cc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.41
CRBN Q96SW2 1/20 0.41
HSD17B13 Q7Z5P4 5/20 0.40
TLR8 Q9NR97 1/20 0.33
PTGES O14684 1/20 0.33
TYK2 P29597 1/20 0.32
KDM2B Q8NHM5 2/20 0.31
BACE1 P56817 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
POLB P06746 1/20 0.31
KDM5A P29375 1/20 0.31
MET P08581 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
SCHEMBL22836722 1.00 IRAK4 (0.41) IRAK4CRBNHSD17B13TLR8PTGES
SCHEMBL22835873 0.90 HSD17B13 (0.39) IRAK4CRBNHSD17B13TYK2KDM2B
SCHEMBL22835874 0.90 HSD17B13 (0.39) IRAK4CRBNHSD17B13TYK2KDM2B
SCHEMBL24508340 0.89 CRBN (0.41) IRAK4CRBNHSD17B13TLR8PTGES
SCHEMBL29083643 0.89 CRBN (0.41) IRAK4CRBNHSD17B13TLR8PTGES
SCHEMBL16595488 0.89 BACE1 (0.38) HSD17B13TLR8TYK2BACE1
SCHEMBL27213907 0.86 HSD17B13 (0.38) IRAK4CRBNHSD17B13TLR8TYK2
SCHEMBL27230890 0.86 HSD17B13 (0.38) IRAK4CRBNHSD17B13TLR8TYK2
Hydrochloric Acid SCHEMBL30849268 0.85 HSD17B13 (0.37) IRAK4CRBNHSD17B13TLR8TYK2
SCHEMBL22835612 0.85 HSD17B13 (0.41) IRAK4CRBNHSD17B13TYK2KDM2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
WO-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 WO disclosed
WO-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO 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-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885CRBN 187/4885HSD17B13 3277/4885

“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.