SCHEMBL1960096

SCHEMBL1960096

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.42
KMT2A Q03164 2/20 0.41
ADORA3 P0DMS8 2/20 0.38
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
MDM2 Q00987 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
UCK2 Q9BZX2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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 0.94 PDE2A (0.46) PDE2AKMT2AADORA3HPGDHTT
SCHEMBL1960594 0.92 PDE2A (0.43) PDE2AKMT2AADORA3HPGDHTT
SCHEMBL2836366 0.91 PDE2A (0.42) PDE2AKMT2AADORA3HPGDHTT
SCHEMBL7360012 0.91 HPGD (0.47) PDE2AKMT2AADORA3HPGDPOLB
SCHEMBL7355845 0.91 KMT2A (0.43) PDE2AKMT2AADORA3CCNE2CCNE1
SCHEMBL1959212 0.91 PDE2A (0.42) PDE2AKMT2AADORA3CCNE2CCNE1
SCHEMBL1962754 0.90 PDE2A (0.42) PDE2AKMT2AADORA3CCNE2CCNE1
SCHEMBL7356548 0.89 PDE2A (0.40) PDE2AKMT2AADORA3CCNE2CCNE1
SCHEMBL7353463 0.89 PDE2A (0.41) PDE2AKMT2AADORA3CCNE2CCNE1
SCHEMBL7355722 0.89 ADORA3 (0.48) PDE2AKMT2AADORA3CCNE2CCNE1

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 29 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-8329656-B2 Use of a PDE5 inhibitor for treating and preventing hypopigmentary disorders SWITCH BIOTECH AG (DE) 2012-12-11 US disclosed
US-8278300-B2 Use for PDE5 inhibitors NYCOMED GMBH (DE) 2012-10-02 US disclosed
EP-1759700-A1 Use of a PDE5 inhibitor for treating and preventing hypopigmentary disorders Switch Biotech Aktiengesellschaft (DE) 2007-03-07 EP disclosed
WO-2006097459-A1 METHOD FOR PREVENTING CARDIOVASCULAR DISEASES NYCOMED GMBH (DE) 2006-09-21 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