SCHEMBL20189986

SCHEMBL20189986

C=CC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Br)n3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 5/20 0.62
MAP3K19 Q56UN5 1/20 0.53
TGM2 P21980 5/20 0.50
LMNA P02545 2/20 0.50
F13A1 P00488 1/20 0.50
TGM1 P22735 1/20 0.50
TGM3 Q08188 1/20 0.50
CDK14 O94921 2/20 0.49
CCNY Q8ND76 2/20 0.49
GRM5 P41594 1/20 0.47
POLB P06746 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL20206198 0.95 IRAK1 (0.65) IRAK1MAP3K19TGM2LMNAF13A1
SCHEMBL20206122 0.90 IRAK1 (0.65) IRAK1MAP3K19TGM2LMNAF13A1
SCHEMBL20206121 0.86 IRAK1 (0.64) IRAK1MAP3K19TGM2CDK14CCNY
SCHEMBL21328541 0.84 IRAK1 (0.47) IRAK1MAP3K19TGM2CDK14CCNY
SCHEMBL21328542 0.84 IRAK1 (0.47) IRAK1MAP3K19TGM2CDK14CCNY
SCHEMBL20190964 0.84 IRAK1 (0.47) IRAK1MAP3K19TGM2LMNAF13A1
SCHEMBL20189257 0.84 POLB (0.55) LMNAGRM5POLBGAAKDM4E
SCHEMBL21345467 0.83 IRAK1 (0.46) IRAK1MAP3K19TGM2LMNAF13A1
SCHEMBL24021453 0.83 GRM5 (0.48) IRAK1LMNAGRM5POLBCHRNB2
SCHEMBL20206102 0.81 GRM5 (0.55) LMNAGRM5POLBGAAKDM4E

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 11 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
EP-3544970-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2019-10-02 EP 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
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 15/4885TGM2 3888/4885
US-10975055-B2 Inhibitors of interleukin-1 receptor-associated kinases and uses thereof IRAK1, IRAK4, IRAK2 IRAK1 1/4885MAP3K19 15/4885TGM2 3888/4885
US-20190276426-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF IRAK1, IRAK4, IRAK2 IRAK1 1/4885MAP3K19 15/4885TGM2 3888/4885

“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.