SCHEMBL20206151

SCHEMBL20206151

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GRM5 P41594 1/20 0.51
NAMPT P43490 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 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
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
MCL1 Q07820 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
SCHEMBL20206152 0.95 NAMPT (0.59) GAAKDM4EMEN1KMT2AGRM5
SCHEMBL24021427 0.92 GRM5 (0.49) GAAKDM4EMEN1KMT2AGRM5
SCHEMBL20206127 0.91 NAMPT (0.57) GAAKDM4EMEN1KMT2AGRM5
SCHEMBL20206125 0.91 NAMPT (0.52) GAAKDM4EMEN1KMT2AGRM5
SCHEMBL23898933 0.90 GAA (0.61) GAAKDM4EMEN1KMT2ANAMPT
SCHEMBL20189983 0.87 STAT3 (0.52) GAAKDM4EMEN1KMT2AGRM5
SCHEMBL20206126 0.87 KAT6A (0.52) MEN1KMT2AGRM5NAMPTNPC1
SCHEMBL20206136 0.83 NAMPT (0.45) GAAKDM4EMEN1KMT2AGRM5
SCHEMBL20206222 0.82 ACKR3 (0.47) GAAKDM4EMEN1KMT2AGRM5
SCHEMBL20206250 0.81 GAA (0.42) GAAKDM4EMEN1KMT2AGRM5

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 5 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
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-20200299257-A9 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-24 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 (2 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 GAA 2558/4885KDM4E 1105/4885MEN1 3487/4885
US-20200299257-A9 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF IRAK1, IRAK4, IRAK2 GAA 2902/4885KDM4E 1670/4885MEN1 1933/4885

“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.