SCHEMBL23601765

SCHEMBL23601765

Cc1cccc(N(C)c2nc3nncn3c3cc([N+](=O)[O-])ccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ CTRB1 P17538 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ RXFP1 Q9HBX9 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
SCHEMBL30014094 0.90 ABCG2 (0.47) ABCG2MEN1KMT2AALDH1A1MAPT
SCHEMBL23577151 0.90 ABCG2 (0.47) ABCG2MEN1KMT2AALDH1A1MAPT
SCHEMBL29909003 0.90 ABCG2 (0.45) ABCG2POLBMEN1KMT2AALDH1A1
SCHEMBL23578021 0.90 ABCG2 (0.45) ABCG2POLBMEN1KMT2AALDH1A1
SCHEMBL23578003 0.89 ABCG2 (0.43) ABCG2POLBALDH1A1MAPTHRH4
SCHEMBL29909685 0.89 ABCG2 (0.43) ABCG2POLBALDH1A1MAPTHRH4
SCHEMBL24721496 0.89 ABCG2 (0.43) ABCG2MEN1KMT2AMAPTHRH4
SCHEMBL29909184 0.88 ABCG2 (0.52) ABCG2ALDH1A1HPGDMAPTHRH4
SCHEMBL23576737 0.88 ABCG2 (0.52) ABCG2ALDH1A1HPGDMAPTHRH4
SCHEMBL23578002 0.87 ABCG2 (0.43) ABCG2MEN1KMT2AACHEMAPT

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 ABCG2 4216/4885POLB 3027/4885MEN1 4106/4885

“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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