SCHEMBL380135

SCHEMBL380135

CCn1c(=O)[nH]c2nc[nH]c2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 1.00
PDE4A P27815 9/20 1.00
PDE4B Q07343 9/20 1.00
PDE4C Q08493 9/20 1.00
PDE4D Q08499 9/20 1.00
ADORA2B P29275 14/20 0.77
ADORA3 P0DMS8 8/20 0.77
HPGD P15428 1/20 0.48
ADORA1 P30542 1/20 0.48
BLM P54132 1/20 0.48
PDE3A Q14432 1/20 0.48
HSD17B10 Q99714 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
SCHEMBL27396492 1.00 ADORA2A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7217322 0.98 ADORA2A (0.97) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL4423680 0.87 ADORA2B (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6233166 0.84 ADORA2B (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL27395394 0.84 ADORA2B (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL5515444 0.83 ADORA2A (0.71) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL27586849 0.83 ADORA2A (0.71) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7455767 0.83 ADORA2A (0.71) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL1892011 0.83 ADORA2B (0.92) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL60158 0.83 ADORA2A (0.70) 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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3946353-A1 COMPOUNDS FOR USE IN THE TREATMENT OF ADCY5-RELATED DYSKINESIA ASSISTANCE PUBLIQUE, HOPITAUX DE PARIS (FR) 2022-02-09 EP claimed
WO-2020193567-A1 COMPOUNDS FOR USE IN THE TREATMENT OF ADCY5-RELATED DYSKINESIA ASSISTANCE PUBLIQUE - HOPITAUX DE PARIS (FR) 2020-10-01 WO claimed
US-5700369-A Process for adsorboaggregational flotation of Carlin type natural gold ore dressing GUANGZHOU INSTITUTE OF GEOCHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 1997-12-23 US claimed
US-5470579-A Xanthines, optionally incorporated in liposomes, for promoting skin or hair pigmentation LVMH, RECHERCHE (FR) 1995-11-28 US claimed
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP claimed
CN-122029936-A Light-emitting element, display device, and method for manufacturing light-emitting element 夏普显示科技株式会社 2026-05-12 CN disclosed
US-12559458-B2 Co-crystals or salts of psilocin and methods of treatment therewith Reset Pharmaceuticals, Inc. (US) 2026-02-24 US disclosed
EP-4486448-A1 CO-CRYSTALS OR SALTS COMPRISING PSILOCIN Reset Pharmaceuticals, Inc. (US) 2025-01-08 EP disclosed
US-20240383849-A1 CO-CRYSTAL OR SALT Reset Pharmaceuticals, Inc. 2024-11-21 US disclosed
CN-118871423-A Co-crystals or salts comprising xylometacin 雷塞特制药股份有限公司 2024-10-29 CN disclosed
CN-115745998-B Method for synthesizing gouache mushroom and analogue thereof by photocatalysis 新乡学院 2024-10-22 CN disclosed
US-12060328-B2 Co-crystals or salts of psilocybin and methods of treatment therewith Reset Pharmaceuticals, Inc. (US) 2024-08-13 US disclosed
EP-0528951-A4 HUMANIZED CDR-GRAFTED ANTI-ICAM-1 ANTIBODIES, METHODS OF PREPARATION AND USAGE THEREOF 1993-05-26 EP disclosed
EP-0528951-A1 HUMANIZED CDR-GRAFTED ANTI-ICAM-1 ANTIBODIES, METHODS OF PREPARATION AND USAGE THEREOF CELLTECH LIMITED (GB) 1993-03-03 EP disclosed
EP-0502043-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR. LVMH RECH (FR) 1992-09-09 EP disclosed
WO-1992007566-A2 ANTIFUNGAL ACTIVITY OF AND PREVENTION OF DRUG INDUCED NEPHROTOXICITY BY METHYLXANTHINE ANALOGUES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-05-14 WO disclosed
EP-0480934-A1 A SLIMMING PHARMACEUTICAL COMPOSITION. DAK LAB AS (DK) 1992-04-22 EP disclosed
WO-1991016927-A1 HUMANIZED CDR-GRAFTED ANTI-ICAM-1 ANTIBODIES, METHODS OF PREPARATION AND USAGE THEREOF CELLTECH LIMITED (GB) 1991-11-14 WO disclosed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 WO disclosed
WO-1991000730-A1 A SLIMMING PHARMACEUTICAL COMPOSITION DAK-LABORATORIET A/S (DK) 1991-01-24 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 (3 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-20240383849-A1 CO-CRYSTAL OR SALT SLC6A3, SLC6A2, OPRK1 ADORA2A 1052/4885PDE4A 255/4885PDE4B 190/4885
US-12060328-B2 Co-crystals or salts of psilocybin and methods of treatment therewith SLC6A3, SLC6A2, HTR2B ADORA2A 387/4885PDE4A 160/4885PDE4B 100/4885
US-12559458-B2 Co-crystals or salts of psilocin and methods of treatment therewith SLC6A2, SLC6A4, SLC6A3 ADORA2A 232/4885PDE4A 192/4885PDE4B 226/4885

“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.