SCHEMBL20189257

SCHEMBL20189257

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
GRM5 P41594 1/20 0.55
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL20189793 0.94 POLB (0.62) POLBGRM5ALDH1A1HPGDMEN1
SCHEMBL20206201 0.88 POLB (0.58) POLBGRM5ALDH1A1HPGDMEN1
SCHEMBL20206102 0.86 GRM5 (0.55) POLBGRM5ALDH1A1HPGDMEN1
SCHEMBL24021453 0.85 GRM5 (0.48) POLBGRM5ALDH1A1HPGDMEN1
SCHEMBL24021474 0.84 MAPT (0.56) POLBGRM5ALDH1A1HPGDMEN1
SCHEMBL20189986 0.84 IRAK1 (0.62) POLBGRM5ALDH1A1MEN1KMT2A
SCHEMBL21328551 0.82 MEN1 (0.47) POLBGRM5ALDH1A1HPGDMEN1
SCHEMBL21328550 0.82 MEN1 (0.47) POLBGRM5ALDH1A1HPGDMEN1
SCHEMBL20190558 0.82 GRM5 (0.46) POLBGRM5ALDH1A1HPGDMEN1
SCHEMBL20206152 0.81 NAMPT (0.59) POLBGRM5ALDH1A1MEN1KMT2A

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 6 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
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 (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 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.