SCHEMBL23860735

SCHEMBL23860735

Nc1ccc(NC(=O)c2cccc(Br)n2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.48
GRM5 P41594 1/20 0.48
HSD17B14 Q9BPX1 1/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.44
BCL6 P41182 1/20 0.44
FADS1 O60427 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 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
SCHEMBL30279685 1.00 GRM4 (0.48) GRM4GRM5HSD17B14POLBMAPT
SCHEMBL20206220 0.81 DDX3X (0.54) GRM4GRM5POLBMAPTSMN1; SMN2
SCHEMBL20766926 0.80 MAPT (0.65) GRM5POLBMAPTBCL6NPC1
SCHEMBL20189462 0.80 POLB (0.56) GRM5POLBMAPTBCL6NPC1
SCHEMBL30279679 0.80 MEN1 (0.47) GRM4GRM5HSD17B14POLBMAPT
SCHEMBL23860710 0.80 MEN1 (0.47) GRM4GRM5HSD17B14POLBMAPT
SCHEMBL17448379 0.76 POLB (0.57) GRM4HSD17B14POLBMAPTNPC1
SCHEMBL20189793 0.76 POLB (0.62) GRM5POLBMAPTBCL6NPC1
SCHEMBL24021474 0.75 MAPT (0.56) GRM5POLBMAPTNPC1RAB9A
SCHEMBL17152729 0.74 SMN1; SMN2 (0.56) GRM5POLBMAPTNPC1RAB9A

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
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
WO-2021194982-A1 POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-09-30 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 (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 GRM4 3020/4885GRM5 2994/4885HSD17B14 4262/4885

“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.