SCHEMBL29909803

SCHEMBL29909803

CN(c1cccc([N+](=O)[O-])c1)c1nc2nncn2c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.56
▸ SIGMAR1 Q99720 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ APP P05067 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ FGFR1 P11362 1/20 0.37

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
SCHEMBL23576650 1.00 ABCG2 (0.56) ABCG2SIGMAR1MAPTALDH1A1HTT
SCHEMBL30014094 0.86 ABCG2 (0.47) ABCG2MAPTALDH1A1HTTRXFP1
SCHEMBL30960991 0.86 ABCG2 (0.47) ABCG2MAPTALDH1A1HTTRXFP1
SCHEMBL23576822 0.86 ABCG2 (0.47) ABCG2MAPTALDH1A1HTTRXFP1
SCHEMBL23577151 0.86 ABCG2 (0.47) ABCG2MAPTALDH1A1HTTRXFP1
SCHEMBL23576737 0.85 ABCG2 (0.52) ABCG2MAPTALDH1A1HTTTHRB
SCHEMBL29909184 0.85 ABCG2 (0.52) ABCG2MAPTALDH1A1HTTTHRB
SCHEMBL23601765 0.85 ABCG2 (0.44) ABCG2MAPTALDH1A1HTTRXFP1
SCHEMBL23578003 0.84 ABCG2 (0.43) ABCG2MAPTALDH1A1HTTRXFP1
SCHEMBL24721496 0.84 ABCG2 (0.43) ABCG2MAPTHTTRXFP1CDK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12054490-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-08-06 — — US disclosed
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 — — CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 — — 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-12054490-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK ABCG2 4216/4885SIGMAR1 3518/4885MAPT 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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