SCHEMBL21345602

SCHEMBL21345602

C=CC(=O)Nc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(-c4ccn[nH]4)c3)c2)cc1

nearest known ligand 0.92

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 7/20 0.92
MAP3K19 Q56UN5 1/20 0.68
BCAT2 O15382 2/20 0.58
CD74 P04233 1/20 0.50
MIF P14174 1/20 0.50
CREBBP Q92793 1/20 0.50
CDK14 O94921 2/20 0.49
CCNY Q8ND76 2/20 0.49
RPS6KA2 Q15349 1/20 0.49
CBLB Q13191 1/20 0.49
P2RY14 Q15391 1/20 0.47
EGFR P00533 2/20 0.46
SRC P12931 1/20 0.45
ROCK2 O75116 1/20 0.45
AURKA O14965 1/20 0.45

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
SCHEMBL21345573 0.96 IRAK1 (1.00) IRAK1MAP3K19BCAT2CD74MIF
SCHEMBL21345600 0.95 IRAK1 (0.94) IRAK1MAP3K19BCAT2CD74MIF
SCHEMBL20206093 0.83 IRAK1 (1.00) IRAK1MAP3K19BCAT2CDK14CCNY
SCHEMBL20206218 0.81 IRAK1 (1.00) IRAK1MAP3K19BCAT2CDK14CCNY
SCHEMBL20206219 0.80 IRAK1 (1.00) IRAK1MAP3K19BCAT2CDK14CCNY
SCHEMBL20190995 0.78 IRAK1 (1.00) IRAK1MAP3K19BCAT2CDK14CCNY
SCHEMBL20206248 0.74 IRAK1 (0.80) IRAK1MAP3K19BCAT2CDK14CCNY
SCHEMBL23609793 0.74 PARP1 (0.57) IRAK1MAP3K19
SCHEMBL15650842 0.73 BCAT2 (0.69) IRAK1MAP3K19BCAT2CD74MIF
SCHEMBL17327878 0.72 TGM2 (0.63) IRAK1

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-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-20190276426-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-12 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 (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 15/4885BCAT2 2237/4885
US-10975055-B2 Inhibitors of interleukin-1 receptor-associated kinases and uses thereof IRAK1, IRAK4, IRAK2 IRAK1 1/4885MAP3K19 15/4885BCAT2 2237/4885
US-20190276426-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF IRAK1, IRAK4, IRAK2 IRAK1 1/4885MAP3K19 15/4885BCAT2 2237/4885

“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.