SCHEMBL5545659

SCHEMBL5545659

O=C(Nc1ccon1)c1ccc(Nc2nc3ccccc3n(CCN3CCCCC3)c2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PYGM P11217 10/20 0.72
▸ HPGD P15428 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ OPRK1 P41145 7/20 0.54
▸ OPRM1 P35372 3/20 0.54
▸ OPRD1 P41143 3/20 0.54
▸ TSHR P16473 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL5549006 0.93 PYGM (0.72) PYGMHPGDKMT2AOPRK1OPRM1
SCHEMBL5545682 0.85 PYGM (0.78) PYGMKMT2ATSHRSMN1; SMN2KDM4E
SCHEMBL5545532 0.84 PYGM (1.00) PYGMSMN1; SMN2KDM4ETP53RAB9A
SCHEMBL5547062 0.82 PYGM (0.56) PYGMOPRK1OPRM1OPRD1TSHR
SCHEMBL14470653 0.80 PYGM (1.00) PYGMHPGDKMT2AOPRK1OPRM1
SCHEMBL5550323 0.79 PYGM (0.98) PYGMHPGDKMT2AOPRK1OPRM1
SCHEMBL5545772 0.75 PYGM (0.76) PYGMHPGDOPRK1OPRM1OPRD1
SCHEMBL14470780 0.74 PYGM (0.69) PYGMOPRK1LMNAHSD17B10KDM4E
SCHEMBL5547099 0.74 PYGM (0.63) PYGMHPGDOPRK1OPRM1OPRD1
SCHEMBL6532182 0.74 KDM4E (0.77) PYGMHPGDKMT2AOPRK1OPRM1

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 8 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 claimed
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 claimed
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 claimed
US-20050148586-A1 Quinoxalinones JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-07 — — US claimed
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 271/4885HPGD 311/4885KMT2A 3549/4885

“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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