SCHEMBL23860749

SCHEMBL23860749

C=CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 8/20 0.63
MAP3K19 Q56UN5 1/20 0.59
IRAK4 Q9NWZ3 2/20 0.48
GRM5 P41594 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.37
CNR2 P34972 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
ULK1 O75385 1/20 0.35
GRM4 Q14833 1/20 0.35
POLB P06746 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
MET P08581 1/20 0.35
KDR P35968 1/20 0.35
MERTK Q12866 1/20 0.35
CLK2 P49760 1/20 0.35
LRRK2 Q5S007 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL20206223 1.00 IRAK1 (0.63) IRAK1MAP3K19IRAK4GRM5SMN1; SMN2
SCHEMBL30165336 1.00 IRAK1 (0.63) IRAK1MAP3K19IRAK4GRM5SMN1; SMN2
SCHEMBL20206130 1.00 IRAK1 (0.63) IRAK1MAP3K19IRAK4GRM5SMN1; SMN2
SCHEMBL30165339 0.91 IRAK1 (0.53) IRAK1MAP3K19IRAK4GRM5SMN1; SMN2
SCHEMBL23860709 0.91 IRAK1 (0.53) IRAK1MAP3K19IRAK4GRM5SMN1; SMN2
SCHEMBL20206103 0.91 IRAK1 (0.66) IRAK1MAP3K19IRAK4CNR2NPC1
SCHEMBL21328540 0.91 IRAK1 (0.66) IRAK1MAP3K19IRAK4CNR2NPC1
SCHEMBL20206098 0.90 IRAK1 (0.71) IRAK1MAP3K19IRAK4GRM5CNR2
SCHEMBL20206135 0.90 IRAK1 (0.71) IRAK1MAP3K19IRAK4GRM5CNR2
SCHEMBL20206097 0.84 IRAK1 (0.76) IRAK1MAP3K19IRAK4CNR2

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.