SCHEMBL30165290

SCHEMBL30165290

CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2ccc(NC(=O)c3cccc(Br)n3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.47
GRM5 P41594 5/20 0.46
ACKR3 P25106 3/20 0.43
CDK9 P50750 1/20 0.42
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK1 P23458 1/20 0.40
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
BCL6 P41182 1/20 0.37
NAMPT P43490 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL20206287 1.00 BTK (0.47) BTKGRM5ACKR3CDK9KMT2A
SCHEMBL20206285 1.00 BTK (0.47) BTKGRM5ACKR3CDK9KMT2A
SCHEMBL30165293 0.91 NPC1 (0.46) BTKGRM5CDK9KMT2AMEN1
SCHEMBL20206222 0.90 ACKR3 (0.47) BTKGRM5ACKR3KMT2AL3MBTL1
SCHEMBL24021477 0.89 GRM5 (0.46) BTKGRM5ACKR3KMT2AL3MBTL1
SCHEMBL20206254 0.89 GRM5 (0.46) BTKGRM5ACKR3KMT2AL3MBTL1
SCHEMBL21328549 0.85 GRM5 (0.51) GRM5ACKR3KDM4EBCL6
SCHEMBL23860688 0.85 GRM5 (0.51) GRM5ACKR3KDM4EBCL6
SCHEMBL20206136 0.83 NAMPT (0.45) GRM5ACKR3KMT2AKDM4EMEN1
SCHEMBL23860726 0.82 GRM5 (0.48) GRM5ACKR3BCL6

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 BTK 75/4885GRM5 2994/4885ACKR3 2221/4885

“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.