SCHEMBL23860746

SCHEMBL23860746

C=CC(=O)N[C@@H]1CNC[C@H](C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)nc2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 8/20 0.53
MAP3K19 Q56UN5 1/20 0.50
IRAK4 Q9NWZ3 2/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
TP53 P04637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
PTBP1 P26599 1/20 0.38
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ABL1 P00519 1/20 0.35
PIM1 P11309 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL30165338 1.00 IRAK1 (0.53) IRAK1MAP3K19IRAK4NPC1RAB9A
SCHEMBL23860709 0.89 IRAK1 (0.53) IRAK1MAP3K19IRAK4NPC1RAB9A
SCHEMBL30165339 0.89 IRAK1 (0.53) IRAK1MAP3K19IRAK4NPC1RAB9A
SCHEMBL30279677 0.87 IRAK1 (0.51) IRAK1MAP3K19IRAK4NPC1RAB9A
SCHEMBL27084620 0.87 IRAK1 (0.51) IRAK1MAP3K19IRAK4NPC1RAB9A
SCHEMBL23860732 0.84 IRAK1 (0.48) IRAK1MAP3K19IRAK4NPC1RAB9A
SCHEMBL30165287 0.84 IRAK1 (0.48) IRAK1MAP3K19IRAK4NPC1RAB9A
SCHEMBL23860699 0.84 IRAK1 (0.47) IRAK1MAP3K19IRAK4NPC1RAB9A
SCHEMBL30165286 0.84 IRAK1 (0.47) IRAK1MAP3K19IRAK4NPC1RAB9A
SCHEMBL21328540 0.81 IRAK1 (0.66) IRAK1MAP3K19IRAK4NPC1RAB9A

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-20240043405-A1 POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 DANA-FARBER CANCER INSTITUTE, INC. 2024-02-08 US disclosed
EP-4125895-A1 POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 Dana-Farber Cancer Institute, Inc. (US) 2023-02-08 EP disclosed
WO-2021194982-A1 POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-09-30 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-20240043405-A1 POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 IRAK1, IRAK2, IRAK3 IRAK1 1/4885MAP3K19 86/4885IRAK4 4/4885

“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.