SCHEMBL20189793

SCHEMBL20189793

O=C(O)Nc1ccc(NC(=O)c2cccc(Br)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
GRM5 P41594 2/20 0.60
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 2/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
MCL1 Q07820 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL20189257 0.94 POLB (0.55) POLBGRM5ALDH1A1HPGDRAB9A
SCHEMBL20206201 0.88 POLB (0.58) POLBGRM5ALDH1A1HPGDRAB9A
SCHEMBL20766926 0.86 MAPT (0.65) POLBGRM5ALDH1A1HPGDRAB9A
SCHEMBL20189462 0.86 POLB (0.56) POLBGRM5ALDH1A1HPGDRAB9A
SCHEMBL12468912 0.84 POLB (0.57) POLBGRM5ALDH1A1HPGDRAB9A
SCHEMBL24021474 0.83 MAPT (0.56) POLBGRM5ALDH1A1HPGDRAB9A
SCHEMBL20206158 0.83 POLB (0.53) POLBGRM5ALDH1A1HPGDRAB9A
SCHEMBL17152729 0.82 SMN1; SMN2 (0.56) POLBGRM5RAB9ASMN1; SMN2NPC1
SCHEMBL20206102 0.82 GRM5 (0.55) POLBGRM5ALDH1A1HPGDRAB9A
SCHEMBL21328550 0.79 MEN1 (0.47) POLBGRM5ALDH1A1HPGDRAB9A

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 10 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
CN-115484954-A Potent and selective irreversible inhibitors of IRAK1 达纳-法伯癌症研究所股份有限公司 2022-12-16 CN 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
WO-2021194982-A1 POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-09-30 WO 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
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
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 (4 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 POLB 1801/4885GRM5 2994/4885ALDH1A1 2149/4885
US-20200299257-A9 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF IRAK1, IRAK4, IRAK2 POLB 2223/4885GRM5 2859/4885ALDH1A1 1394/4885
US-10975055-B2 Inhibitors of interleukin-1 receptor-associated kinases and uses thereof IRAK1, IRAK4, IRAK2 POLB 2223/4885GRM5 2859/4885ALDH1A1 1394/4885
US-20190276426-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF IRAK1, IRAK4, IRAK2 POLB 2223/4885GRM5 2859/4885ALDH1A1 1394/4885

“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.