SCHEMBL20206098

SCHEMBL20206098

C=CC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)C1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 8/20 0.71
MAP3K19 Q56UN5 1/20 0.62
IRAK4 Q9NWZ3 2/20 0.46
GRM5 P41594 9/20 0.42
CNR2 P34972 1/20 0.39
BCAT2 O15382 1/20 0.39

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
SCHEMBL20206135 1.00 IRAK1 (0.71) IRAK1MAP3K19IRAK4GRM5CNR2
SCHEMBL21328552 0.93 IRAK1 (0.76) IRAK1MAP3K19IRAK4CNR2BCAT2
SCHEMBL20206097 0.93 IRAK1 (0.76) IRAK1MAP3K19IRAK4CNR2BCAT2
SCHEMBL23860749 0.90 IRAK1 (0.63) IRAK1MAP3K19IRAK4GRM5CNR2
SCHEMBL20206130 0.90 IRAK1 (0.63) IRAK1MAP3K19IRAK4GRM5CNR2
SCHEMBL20206223 0.90 IRAK1 (0.63) IRAK1MAP3K19IRAK4GRM5CNR2
SCHEMBL30165336 0.90 IRAK1 (0.63) IRAK1MAP3K19IRAK4GRM5CNR2
SCHEMBL20206139 0.86 IRAK1 (0.56) IRAK1MAP3K19IRAK4GRM5CNR2
SCHEMBL20206109 0.84 IRAK1 (0.62) IRAK1MAP3K19IRAK4
SCHEMBL20190995 0.84 IRAK1 (1.00) IRAK1MAP3K19IRAK4BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544970-B1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-11-17 EP disclosed
EP-3544970-B1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-11-17 EP disclosed
US-10975055-B2 Inhibitors of interleukin-1 receptor-associated kinases and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-13 US disclosed
US-10975055-B2 Inhibitors of interleukin-1 receptor-associated kinases and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-13 US disclosed
US-20200299257-A9 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-24 US disclosed
US-20200299257-A9 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-24 US disclosed
US-20190276426-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-12 US disclosed
US-20190276426-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-12 US disclosed
WO-2018098367-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 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 (3 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-20200299257-A9 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF IRAK1, IRAK4, IRAK2 IRAK1 1/4885MAP3K19 15/4885IRAK4 2/4885
US-10975055-B2 Inhibitors of interleukin-1 receptor-associated kinases and uses thereof IRAK1, IRAK4, IRAK2 IRAK1 1/4885MAP3K19 15/4885IRAK4 2/4885
US-20190276426-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF IRAK1, IRAK4, IRAK2 IRAK1 1/4885MAP3K19 15/4885IRAK4 2/4885

“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.