SCHEMBL31366236

SCHEMBL31366236

O=c1[nH]c2nc[nH]c2c(=O)n1CC1C[C@@H]2C[C@@H]2C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.59
▸ PDE4A P27815 5/20 0.59
▸ PDE4B Q07343 5/20 0.59
▸ PDE4C Q08493 5/20 0.59
▸ PDE4D Q08499 5/20 0.59
▸ ADORA2B P29275 10/20 0.57
▸ ADORA3 P0DMS8 8/20 0.57
▸ ADORA1 P30542 3/20 0.42
▸ ACHE P22303 1/20 0.36
▸ GDA Q9Y2T3 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34

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
SCHEMBL6141778 0.87 ADORA2A (0.64) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7296248 0.85 ADORA2A (0.61) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7295708 0.85 ADORA2A (0.61) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7295604 0.84 ADORA2A (0.59) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL29429682 0.75 ADORA2A (0.49) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL5515444 0.75 ADORA2A (0.71) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL380135 0.75 ADORA2A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9329831 0.74 ADORA2A (0.54) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7217322 0.74 ADORA2A (0.97) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL4602969 0.73 ADORA2B (0.73) ADORA2APDE4APDE4BPDE4CPDE4D

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-20240425508-A1 COMPOUNDS USEFUL IN PREVENTION AND/OR TREATMENT OF SENESCENT CELL-RELATED PATHOLOGIES AND DISEASES ISTITUTI CLINICI SCIENTIFICI MAUGERI S.P.A. S.B. (IT) 2024-12-26 — — 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-20240425508-A1 COMPOUNDS USEFUL IN PREVENTION AND/OR TREATMENT OF SENESCENT CELL-RELATED PATHOLOGIES AND DISEASES RB1, CCNH, SIRT7 ADORA2A 1331/4885PDE4A 4179/4885PDE4B 4094/4885

“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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