SCHEMBL515771

SCHEMBL515771

CCCn1c(=O)c2[nH]cnc2n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 1.00
PDE4B Q07343 18/20 1.00
PDE4C Q08493 18/20 1.00
PDE4D Q08499 18/20 1.00
ADORA2A P29274 11/20 1.00
ADORA2B P29275 10/20 1.00

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
Ammonia Solution, Strong SCHEMBL10420651 0.98 PDE4A (0.97) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL5400933 0.95 PDE4A (0.91) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3842077 0.94 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381259 0.94 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL4623455 0.94 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9430034 0.93 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3990422 0.91 ADORA2B (0.94) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9765669 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7460178 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3186630 0.90 PDE4A (0.94) PDE4APDE4BPDE4CPDE4DADORA2A

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 249 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009118759-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD., (IN) 2009-10-01 WO claimed
US-20070054876-A1 Pharmaceutical composition promoting defecation YASUDA MASAHIRO 2007-03-08 US claimed
JP-3677286-B2 2005-07-27 JP claimed
EP-1510222-A2 Medicinal compositions promoting bowel movement Eisai Co. Ltd. (JP) 2005-03-02 EP claimed
US-20040259865-A1 Pyrimidone compounds and pharmaceutical compositions containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-23 US claimed
US-20040106797-A1 Novel xanthines having adenosine A1-receptor antagonist properties ARYX THERAPEUTICS 2004-06-03 US claimed
WO-2004009594-A2 XANTHINE DERIVATIVES HAVING ADENOSINE A1-RECEPTOR ANTAGONIST PROPERTIES ARYX THERAPEUTICS (US) 2004-01-29 WO claimed
US-20030171383-A1 Medicinal compositions promoting bowel movement EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-09-11 US claimed
EP-1283056-A1 MEDICINAL COMPOSITIONS PROMOTING BOWEL MOVEMENT Eisai Co., Ltd. (JP) 2003-02-12 EP claimed
WO-1999031101-A1 ADENOSINE RECEPTOR ANTAGONISTS WITH IMPROVED BIOACTIVITY UNIVERSITY OF SOUTH FLORIDA (US) 1999-06-24 WO claimed
EP-0167566-A4 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. SUNSHINE ABRAHAM (US) 1987-06-29 EP claimed
EP-0193599-A1 XANTHINE DERIVATIVE PEST CONTROL AGENTS THE GENERAL HOSPITAL CORPORATION (US) 1986-09-10 EP claimed
EP-0165308-A4 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1986-05-16 EP claimed
WO-1986001724-A1 XANTHINE DERIVATIVE PEST CONTROL AGENTS THE GENERAL HOSPITAL CORPORATION (US) 1986-03-27 WO claimed
US-4567183-A SYNERGISTIC, POTENTIATION ANALGESIC ASSOCIATES (US) 1986-01-28 US claimed
EP-0167566-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE, Abraham (US) 1986-01-15 EP claimed
EP-0165308-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1985-12-27 EP claimed
US-4558051-A Analgesic and anti-inflammatory compositions comprising xanthines and methods of using same RICHARDSON-VICKS, INC. (US) 1985-12-10 US claimed
WO-1985002540-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME RICHARDSON-VICKS, INC. (US) 1985-06-20 WO claimed
WO-1985002542-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE ABRAHAM 1985-06-20 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20070054876-A1 Pharmaceutical composition promoting defecation ADORA2B, ADORA2A, ADORA1 PDE4A 55/4885PDE4B 47/4885PDE4C 143/4885
US-20040106797-A1 Novel xanthines having adenosine A1-receptor antagonist properties ADORA1, ADORA2A, ADORA3 PDE4A 23/4885PDE4B 55/4885PDE4C 87/4885
US-20040259865-A1 Pyrimidone compounds and pharmaceutical compositions containing the same ADORA2A, ADORA1, ADORA3 PDE4A 29/4885PDE4B 28/4885PDE4C 59/4885
US-20030171383-A1 Medicinal compositions promoting bowel movement ADORA2A, ADORA3, ADORA2B PDE4A 14/4885PDE4B 16/4885PDE4C 45/4885

“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.