SCHEMBL2836366

SCHEMBL2836366

CC(CCCc1ccccc1)n1nnc2c(=O)[nH]c(Cc3ccc(-c4ccccc4)cc3)nc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.42
KMT2A Q03164 2/20 0.41
ADORA3 P0DMS8 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
MGLL Q99685 1/20 0.38
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2831825 0.95 PDE2A (0.46) PDE2AKMT2AADORA3HPGDHTT
SCHEMBL1960594 0.93 PDE2A (0.43) PDE2AKMT2AADORA3HPGDHTT
SCHEMBL1959212 0.91 PDE2A (0.42) PDE2AKMT2AADORA3HPGDHTT
SCHEMBL1960096 0.91 PDE2A (0.42) PDE2AKMT2AADORA3HPGDHTT
SCHEMBL7360012 0.91 HPGD (0.47) PDE2AKMT2AADORA3HPGD
SCHEMBL7355845 0.91 KMT2A (0.43) PDE2AKMT2AADORA3HPGDHTT
SCHEMBL1962754 0.90 PDE2A (0.42) PDE2AKMT2AADORA3HPGDHTT
SCHEMBL7353463 0.90 PDE2A (0.41) PDE2AKMT2AADORA3RXFP1HPGD
SCHEMBL7355722 0.90 ADORA3 (0.48) PDE2AKMT2AADORA3HPGD
SCHEMBL1961437 0.87 PDE2A (0.39) PDE2AKMT2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179152-A1 Novel use for PDE5 inhibitors NYCOMED GMBH (DE) 2010-07-15 US claimed
EP-1740183-B1 NOVEL USE FOR PDE5 INHIBITORS NYCOMED GMBH (DE) 2009-10-14 EP claimed
US-20070185114-A1 Novel use for pde5 inhibitors ALTANA PHARMA AG (DE) 2007-08-09 US claimed
US-20050107394-A1 for the treatment of respiratory failure in patients showing a mismatch of pulmonary ventilation and pulmonary perfusion; e.g. 3-ethyl-8-[2-(4-morpholinylmethyl)benzylamino]-2,3-dihydro-1H-imidazo[4,5-g]quinazoline-2-thione GHOFRANI ARDESCHIR (DE) 2005-05-19 US claimed
EP-1461022-A2 USE OF SELECTIVE PDE5 INHIBITORS FOR TREATING PARTIAL AND GLOBAL RESPIRATORY FAILURE ALTANA Pharma AG (DE) 2004-09-29 EP claimed
WO-2003051346-A2 USE OF SELECTIVE PDE5 INHIBITORS FOR TREATING PARTIAL AND GLOBAL RESPIRATORY FAILURE ALTANA PHARMA AG (DE) 2003-06-26 WO claimed
EP-3267986-B1 PDE5 INHIBITORS FOR USE IN REDUCING RENAL CYST SIZE AND/OR PREVENTING RENAL CYST GROWTH UNIV INDIANA RES & TECH CORP (US) 2022-09-14 EP disclosed
US-10456404-B2 Targeting cGMP-related phosphodiesterases to reduce cyst formation in cystic kidney disease, and related materials and methods INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-10-29 US disclosed
US-20180078559-A1 TARGETING cGMP-RELATED PHOSPHODIESTERASES TO REDUCE CYST FORMATION IN CYSTIC KIDNEY DISEASE, AND RELATED MATERIALS AND METHODS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY COPORATION (US) 2018-03-22 US disclosed
EP-3267986-A1 TARGETING cGMP-RELATED PHOSPHODIESTERASES TO REDUCE CYST FORMATION IN CYSTIC KIDNEY DISEASE, AND RELATED MATERIALS AND METHODS Indiana University Research&Technology Corporation (US) 2018-01-17 EP disclosed
WO-2016149218-A1 TARGETING cGMP-RELATED PHOSPHODIESTERASES TO REDUCE CYST FORMATION IN CYSTIC KIDNEY DISEASE, AND RELATED MATERIALS AND METHODS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-09-22 WO disclosed
US-8278300-B2 Use for PDE5 inhibitors NYCOMED GMBH (DE) 2012-10-02 US disclosed
US-8268785-B2 Such as tadalafil or sildenafil; vitiligo; use in combination with Pimecrolimus, Tacrolimus, or Cyclosporin A SWITCH BIOTECH AG (DE) 2012-09-18 US disclosed
WO-2006018088-A1 USE OF A PDE 5 INHIBITOR FOR TREATING AND PREVENTING HYPOPIGMENTARY DISORDERS SWITCH BIOTECH AG (DE) 2006-02-23 WO disclosed
WO-2005089766-A1 NOVEL USE FOR PDE5 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-29 WO disclosed
US-20050107394-A1 for the treatment of respiratory failure in patients showing a mismatch of pulmonary ventilation and pulmonary perfusion; e.g. 3-ethyl-8-[2-(4-morpholinylmethyl)benzylamino]-2,3-dihydro-1H-imidazo[4,5-g]quinazoline-2-thione GHOFRANI ARDESCHIR (DE) 2005-05-19 US disclosed
EP-1461022-A2 USE OF SELECTIVE PDE5 INHIBITORS FOR TREATING PARTIAL AND GLOBAL RESPIRATORY FAILURE ALTANA Pharma AG (DE) 2004-09-29 EP disclosed
WO-2003051346-A2 USE OF SELECTIVE PDE5 INHIBITORS FOR TREATING PARTIAL AND GLOBAL RESPIRATORY FAILURE ALTANA PHARMA AG (DE) 2003-06-26 WO disclosed
EP-1107968-B1 DIHYDRO-[1,2,3]TRIAZOLO-[4,5-D]PYRIMIDIN-7-ONE BAYER AG (DE) 2002-11-13 EP disclosed
US-6458796-B1 METHOD OF TREATING CARDIOVASCULAR DISORDERS, THROMBOEMBOLIC DISORDERS AND ISCHAEMIAS, AND UROGENITAL SYSTEM DISORDERS, COMPRISING ADMINISTERING TO MAMMALS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed