SCHEMBL23600461

SCHEMBL23600461

CC(=O)Nc1ccc(-c2cccc(N(C)c3nc4nncn4c4cc(CO)ccc34)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.38
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MGLL Q99685 2/20 0.36
ATM Q13315 2/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
FYN P06241 3/20 0.35
PTGIR P43119 2/20 0.35
TP53 P04637 1/20 0.34
MOK Q9UQ07 2/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MTOR P42345 1/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL29909017 1.00 AOC3 (0.38) AOC3CYP17A1CYP11B1CYP11B2MGLL
SCHEMBL29909552 0.88 AOC3 (0.38) AOC3ATMMTNR1AMTNR1BTP53
SCHEMBL29909015 0.88 IDO1 (0.37) AOC3ATMMTNR1AMTNR1BTP53
SCHEMBL29909468 0.88 TP53 (0.47) AOC3ATMMTNR1AMTNR1BTP53
SCHEMBL23577181 0.88 IDO1 (0.37) AOC3ATMMTNR1AMTNR1BTP53
SCHEMBL23577153 0.88 AOC3 (0.38) AOC3ATMMTNR1AMTNR1BTP53
SCHEMBL23576968 0.88 TP53 (0.47) AOC3ATMMTNR1AMTNR1BTP53
SCHEMBL23601408 0.88 KMT2A (0.39) AOC3ATMMTNR1AMTNR1BTP53
SCHEMBL29909110 0.88 KMT2A (0.39) AOC3ATMMTNR1AMTNR1BTP53
SCHEMBL23576658 0.87 MGLL (0.36) MGLLFYNTP53ALDH1A1MAPT

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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK AOC3 4703/4885CYP17A1 4211/4885CYP11B1 4046/4885

“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.