SCHEMBL30165293

SCHEMBL30165293

CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2ccc(NC(=O)c3cccc(Br)n3)nc2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CDK9 P50750 1/20 0.45
TP53 P04637 4/20 0.43
PKM P14618 2/20 0.43
GRM5 P41594 3/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PTBP1 P26599 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
BTK Q06187 1/20 0.41

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
SCHEMBL20206285 0.91 BTK (0.47) CDK9GRM5GAAKMT2AMEN1
SCHEMBL20206287 0.91 BTK (0.47) CDK9GRM5GAAKMT2AMEN1
SCHEMBL30165290 0.91 BTK (0.47) CDK9GRM5GAAKMT2AMEN1
SCHEMBL23860696 0.87 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL23860700 0.84 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL30165320 0.84 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL30736107 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL30165323 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL26991102 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL20206222 0.81 ACKR3 (0.47) NPC1RAB9AALDH1A1TP53PKM

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 NPC1 1194/4885RAB9A 2952/4885SMN1; SMN2 1399/4885

“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.