Sugi Predict

Sugi Predict / Compounds / SCHEMBL2292847

SCHEMBL2292847

SCHEMBL2292847

CCCCCC#CCOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT1 Q9H9B1 1/20 0.68
▸ RXFP1 Q9HBX9 1/20 0.63
▸ ADORA1 P30542 3/20 0.58
▸ P2RY1 P47900 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ SRC P12931 2/20 0.58
▸ P2RY2 P41231 2/20 0.58
▸ DNPH1 O43598 1/20 0.58
▸ PRKAB2 O43741 1/20 0.58
▸ TRPM2 O94759 1/20 0.58
▸ LDHA P00338 1/20 0.58
▸ ADRB2 P07550 1/20 0.58
▸ FBP1 P09467 1/20 0.58
▸ PRKAG1 P54619 1/20 0.58
▸ PRKAA2 P54646 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ PRKAA1 Q13131 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ TAS1R3 Q7RTX0 1/20 0.58

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
Water SCHEMBL8341906 0.99 EHMT1 (0.67) EHMT1RXFP1ADORA1P2RY1SMN1; SMN2
SCHEMBL9339756 0.99 EHMT1 (0.67) EHMT1RXFP1ADORA1P2RY1SMN1; SMN2
SCHEMBL9339774 0.94 EHMT1 (0.63) EHMT1RXFP1ADORA1P2RY1SMN1; SMN2
SCHEMBL1637468 0.87 EHMT1 (0.76) EHMT1RXFP1ADORA1P2RY1SMN1; SMN2
SCHEMBL9231760 0.87 EHMT1 (0.76) EHMT1RXFP1ADORA1P2RY1SMN1; SMN2
SCHEMBL10865966 0.86 EHMT1 (0.74) EHMT1RXFP1ADORA1P2RY1SMN1; SMN2
SCHEMBL1920531 0.86 EHMT1 (0.74) EHMT1RXFP1ADORA1P2RY1SMN1; SMN2
SCHEMBL8671033 0.86 EHMT1 (0.74) EHMT1RXFP1ADORA1P2RY1SMN1; SMN2
SCHEMBL8671037 0.86 EHMT1 (0.74) EHMT1RXFP1ADORA1P2RY1SMN1; SMN2
SCHEMBL29936475 0.86 EHMT1 (0.74) EHMT1RXFP1ADORA1P2RY1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110189255-A1 DRUG-ELUTING STENTS FOR ADENOSINE RECEPTOR MODULATION PURDUE RESEARCH FOUNDATION 2011-08-04 — — US claimed
US-20100272711-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CARDIOVASCULAR DISEASES THOMAS JEFFERSON UNIVERSITY (US) 2010-10-28 — — US claimed
WO-2009076580-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CARDIOVASCULAR DISEASES THOMAS JEFFERSON UNIVERSITY (US) 2009-06-18 — — WO claimed
EP-1014995-A4 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES ADERIS PHARMACEUTICALS INC (US) 2005-02-16 — — EP claimed
US-6372723-B1 Compositions and methods for preventing restenosis following revascularization procedures DISCOVERY THERAPEUTICS, INC. 2002-04-16 — — 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
US-5939543-A SOLID 2-OCTYNYL ADENOSINE HAVING WATER CONTENT LESS THAN 3%, AND POSSESSESS THE FOLLOWING PROPERTIES: THERMOGRAM SHOWS AN ENDOTHERMIC REACTION AT 110 DEGREE C AND IMPROVED STABILITY WITH RESPECT TO TEMPERATURE YAMASA SHOYU KABUSHIKI KAISHA (JP) 1999-08-17 — — US claimed
WO-1998057651-A1 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES DISCOVERY THERAPEUTICS, INC. (US) 1998-12-23 — — WO claimed
EP-0499185-B1 Stable solid 2-octynyl adenosine and process for producing the same YAMASA SHOYU KK (JP) 1995-05-17 — — EP claimed
EP-0499185-A1 Stable solid 2-octynyl adenosine and process for producing the same Yamasa Shoyu Kabushiki Kaisha (JP) 1992-08-19 — — EP claimed
JP-10081697-A — — None — — JP disclosed
JP-5194579-A — — None — — JP disclosed
US-9414901-B2 Drug-eluting stents for adenosine receptor modulation INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-08-16 — — US disclosed
EP-0499185-A1 Stable solid 2-octynyl adenosine and process for producing the same Yamasa Shoyu Kabushiki Kaisha (JP) 1992-08-19 — — EP disclosed
EP-0499185-A1 Stable solid 2-octynyl adenosine and process for producing the same Yamasa Shoyu Kabushiki Kaisha (JP) 1992-08-19 — — EP disclosed
EP-0499185-A1 Stable solid 2-octynyl adenosine and process for producing the same Yamasa Shoyu Kabushiki Kaisha (JP) 1992-08-19 — — EP disclosed
EP-0444196-A1 AGENT FOR TREATMENT AND PROPHYLAXIS OF ISCHEMIC DISEASE OF HEART OR BRAIN Yamasa Shoyu Kabushiki Kaisha (JP) 1991-09-04 — — EP 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-20100272711-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CARDIOVASCULAR DISEASES ADORA2A, ADORA1, ADORA2B EHMT1 3721/4885RXFP1 210/4885ADORA1 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.