SCHEMBL23860729

SCHEMBL23860729

C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)nc2)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 6/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAP3K19 Q56UN5 1/20 0.46
TP53 P04637 3/20 0.44
PKM P14618 1/20 0.44
IRAK4 Q9NWZ3 2/20 0.43
CDK14 O94921 3/20 0.41
CCNY Q8ND76 3/20 0.41
RHOA P61586 2/20 0.41
BTK Q06187 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
PTBP1 P26599 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL30279687 1.00 IRAK1 (0.48) IRAK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30165298 1.00 IRAK1 (0.48) IRAK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23860733 1.00 IRAK1 (0.48) IRAK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27084621 1.00 IRAK1 (0.48) IRAK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20206260 0.92 IRAK1 (0.57) IRAK1RAB9ASMN1; SMN2ALDH1A1MAP3K19
SCHEMBL26986445 0.89 NPC1 (0.47) IRAK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30736265 0.89 NPC1 (0.47) IRAK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27125840 0.89 NPC1 (0.47) IRAK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30736401 0.87 CDK14 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL26986517 0.87 CDK14 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1TP53

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 IRAK1 1/4885NPC1 1194/4885RAB9A 2952/4885

“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.