SCHEMBL5550427

SCHEMBL5550427

COC(=O)c1ccc(Nc2nc3ccccc3n(C)c2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PYGM P11217 10/20 0.62
▸ KDM4E B2RXH2 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ PDE5A O76074 1/20 0.54
▸ ABCC1 P33527 1/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.54
▸ TP53 P04637 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL5549648 0.86 PYGM (0.64) PYGMKDM4ESMN1; SMN2TP53MAPT
SCHEMBL5547074 0.85 PYGM (0.63) PYGMKDM4EPDE5AABCC1ABCG2
SCHEMBL9910546 0.85 NPC1 (0.67) KDM4ESMN1; SMN2PDE5AABCC1ABCG2
SCHEMBL5549650 0.82 PYGM (0.66) PYGMKDM4ESMN1; SMN2TP53MAPT
SCHEMBL14470780 0.81 PYGM (0.69) PYGMKDM4EDRD2TBXA2RL3MBTL1
SCHEMBL5550426 0.81 PYGM (0.65) PYGMKDM4ESMN1; SMN2ABCG2TP53
SCHEMBL5545524 0.81 PYGM (0.73) PYGMKDM4ESMN1; SMN2TP53MAPT
SCHEMBL28282523 0.80 MAPT (0.57) KDM4ESMN1; SMN2TP53MAPTRXFP1
SCHEMBL5549644 0.80 PYGM (0.74) PYGMMAPT
SCHEMBL5547081 0.80 PYGM (0.69) PYGMKDM4ESMN1; SMN2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711184-B1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA NV (BE) 2007-07-18 — — EP disclosed
EP-1711184-B1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA NV (BE) 2007-07-18 — — EP disclosed
EP-1711184-A1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-18 — — EP disclosed
WO-2005067932-A1 (3-OXO-3, 4-DIHYDRO-QUINOXALIN-2-YL-AMINO) -BENZAMIDE DERIVATIVES AND RELATED COMPOUND AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-28 — — WO disclosed
US-20050148586-A1 Quinoxalinones JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-07 — — 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-20050148586-A1 Quinoxalinones SLC5A2, GPR119, GLS2 PYGM 271/4885KDM4E 1657/4885SMN1; SMN2 4347/4885

“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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