SCHEMBL21328548

SCHEMBL21328548

O=C(O)N[C@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)c3cccc(Br)n3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.51
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 1/20 0.42

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
SCHEMBL21328550 0.91 MEN1 (0.47) GRM5KDM4EMEN1KMT2ARXFP1
SCHEMBL21328551 0.91 MEN1 (0.47) GRM5KDM4EMEN1KMT2ARXFP1
SCHEMBL20206224 0.88 GRM5 (0.46) GRM5KDM4EMEN1KMT2ARXFP1
SCHEMBL20206225 0.88 GRM5 (0.46) GRM5KDM4EMEN1KMT2ARXFP1
SCHEMBL20206134 0.88 KMT2A (0.58) KDM4EMEN1KMT2ARXFP1
SCHEMBL23860688 0.87 GRM5 (0.51) GRM5KDM4EPOLB
SCHEMBL21328549 0.87 GRM5 (0.51) GRM5KDM4EPOLB
SCHEMBL20206254 0.85 GRM5 (0.46) GRM5KDM4EMEN1KMT2ARXFP1
SCHEMBL24021477 0.85 GRM5 (0.46) GRM5KDM4EMEN1KMT2ARXFP1
SCHEMBL21328545 0.79 ACKR3 (0.46) GRM5KDM4EMEN1KMT2APOLB

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 4 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
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 GRM5 2859/4885KDM4E 1670/4885MEN1 1933/4885
US-10975055-B2 Inhibitors of interleukin-1 receptor-associated kinases and uses thereof IRAK1, IRAK4, IRAK2 GRM5 2859/4885KDM4E 1670/4885MEN1 1933/4885
US-20190276426-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF IRAK1, IRAK4, IRAK2 GRM5 2859/4885KDM4E 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.