SCHEMBL2294590

SCHEMBL2294590

CCCn1c(=O)c2[nH]c(C(C3CC3)C3CC3)nc2n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 1.00
ADORA2B P29275 2/20 1.00
ADORA1 P30542 2/20 0.62
MEN1 O00255 1/20 0.60
GMNN O75496 1/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
TSHR P16473 1/20 0.60
PMP22 Q01453 1/20 0.60
KMT2A Q03164 1/20 0.60
HIF1A Q16665 1/20 0.60

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
SCHEMBL7269624 0.94 ADORA2A (0.88) ADORA2AADORA2BADORA1MEN1GMNN
SCHEMBL30082250 0.92 ADORA2A (0.86) ADORA2AADORA2B
SCHEMBL7269959 0.89 ADORA2A (0.80) ADORA2AADORA2B
SCHEMBL8396163 0.86 ADORA2B (0.74) ADORA2AADORA2BADORA1
SCHEMBL8395066 0.86 ADORA2B (0.74) ADORA2AADORA2BADORA1
SCHEMBL7269734 0.85 ADORA2A (0.73) ADORA2AADORA2BADORA1
SCHEMBL7277196 0.83 ADORA2A (0.71) ADORA2AADORA2BADORA1ADORA3
SCHEMBL9427714 0.82 ADORA2A (0.69) ADORA2AADORA2BADORA1
SCHEMBL7268434 0.81 ADORA2A (0.68) ADORA2AADORA2B
SCHEMBL7274376 0.81 ADORA2A (0.68) ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9555037-B2 Method of using vasoconstrictive agents during energy-based tissue therapy COVIDIEN AG 2017-01-31 US claimed
US-20160151374-A1 METHOD OF USING VASOCONSTRICTIVE AGENTS DURING ENERGY-BASED TISSUE THERAPY SHERWOOD SERVICES AG (CH) 2016-06-02 US claimed
US-8202242-B2 Method of using vasoconstrictive agents during energy-based tissue therapy COVIDIEN AG (CH) 2012-06-19 US claimed
US-20110189255-A1 DRUG-ELUTING STENTS FOR ADENOSINE RECEPTOR MODULATION PURDUE RESEARCH FOUNDATION 2011-08-04 US claimed
US-7767686-B2 Method of using adenosine receptor blockers during tissue ablation COVIDIEN AG (CH) 2010-08-03 US claimed
US-20080275068-A1 administering a vasoconstrictive agent such as an adenosine receptor antagonist ( 1,3-dipropyl-8-cyclopentylxanthine, 8-(3-Chlorostyryl)caffeine, 6-carboxy-methyl-5,9-dihydro-9-methyl-2-phenyl-[1,2,4]-triazolo[5,1-a][2,7]naphthyridine) to the mammal to increases the size of the coagulation zone COVIDIEN AG (CH) 2008-11-06 US claimed
US-20070207979-A1 Method of using adenosine receptor blockers during tissue ablation SHERWOOD SERVICES AG 2007-09-06 US claimed
US-20070208042-A1 Method of using vasoconstrictive agents during energy-based tissue therapy SHERWOOD SERVICES AG 2007-09-06 US claimed
EP-1014995-A4 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES ADERIS PHARMACEUTICALS INC (US) 2005-02-16 EP claimed
US-20040259889-A1 Methods of treating pulmonary disease BIOGEN IDEC MA INC. 2004-12-23 US claimed
JP-2002505687-A 2002-02-19 JP claimed
US-6339072-B2 Compositions and methods for preventing restenosis following revascularization procedures DISCOVERY THERAPEUTICS INC. 2002-01-15 US claimed
US-20010009907-A1 Compositions and methods for preventing restenosis following revascularization procedures DISCOVERY THERAPEUTICS, INC. 2001-07-26 US claimed
EP-1014995-A1 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES Discovery Therapeutics, Inc. (US) 2000-07-05 EP claimed
EP-0970696-A1 Combination of loop diuretics with adenosine A1-receptor antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-01-12 EP claimed
WO-1998057651-A1 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES DISCOVERY THERAPEUTICS, INC. (US) 1998-12-23 WO claimed
WO-1998030900-A2 SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA KLAUS TRIER APS (DK) 1998-07-16 WO claimed
EP-0386675-B1 Xanthine derivatives KYOWA HAKKO KOGYO KK (JP) 1996-06-05 EP claimed
US-5068236-A Diuretics, renal protective agents and hypotensives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-11-26 US claimed
EP-0386675-A2 Xanthine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-09-12 EP 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 (5 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-20040259889-A1 Methods of treating pulmonary disease ADORA1, ADORA2A, TBXA2R ADORA2A 2/4885ADORA2B 5/4885ADORA1 1/4885
US-20070207979-A1 Method of using adenosine receptor blockers during tissue ablation ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885ADORA2B 2/4885ADORA1 4/4885
US-20070208042-A1 Method of using vasoconstrictive agents during energy-based tissue therapy PLAT, TEK, PLG ADORA2A 271/4885ADORA2B 339/4885ADORA1 503/4885
US-20160151374-A1 METHOD OF USING VASOCONSTRICTIVE AGENTS DURING ENERGY-BASED TISSUE THERAPY PLAT, TEK, PLG ADORA2A 271/4885ADORA2B 339/4885ADORA1 503/4885
US-20080275068-A1 administering a vasoconstrictive agent such as an adenosine receptor antagonist ( 1,3-dipropyl-8-cyclopentylxanthine, 8-(3-Chlorostyryl)caffeine, 6-carboxy-methyl-5,9-dihydro-9-methyl-2-phenyl-[1,2,4]-triazolo[5,1-a][2,7]naphthyridine) to the mammal to increases the size of the coagulation zone ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA2B 4/4885ADORA1 2/4885

“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.