SCHEMBL24721427

SCHEMBL24721427

CC(=O)Nc1ccc(-c2cccc(N(C)c3nc4nncn4c4cc([N+](=O)[O-])ccc34)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.41
▸ ATM Q13315 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ PLG P00747 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ PLAT P00750 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ ABCB1 P08183 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ BAZ1A Q9NRL2 1/20 0.36
▸ SNCA P37840 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL29909355 1.00 ABCG2 (0.41) ABCG2ATMMAPTPLGPLAU
SCHEMBL23576737 0.88 ABCG2 (0.52) ABCG2MAPTALDH1A1THRBKDM4E
SCHEMBL29909184 0.88 ABCG2 (0.52) ABCG2MAPTALDH1A1THRBKDM4E
SCHEMBL29909003 0.87 ABCG2 (0.45) ABCG2MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL23578021 0.87 ABCG2 (0.45) ABCG2MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL23577153 0.87 AOC3 (0.38) ATMMAPTPLAUKMT2AMEN1
SCHEMBL29909468 0.87 TP53 (0.47) ATMPLAUKMT2AMEN1ALDH1A1
SCHEMBL23576968 0.87 TP53 (0.47) ATMPLAUKMT2AMEN1ALDH1A1
SCHEMBL23577181 0.87 IDO1 (0.37) ATMMAPTPLAUKMT2AMEN1
SCHEMBL29909552 0.87 AOC3 (0.38) ATMMAPTPLAUKMT2AMEN1

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 1 patent. 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

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 ABCG2 4216/4885ATM 839/4885MAPT 4206/4885

“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.

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