SCHEMBL1961857

SCHEMBL1961857

CC(CCCc1ccccc1)n1nnc2c(=O)[nH]c(C(=O)c3ccccc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.42
TSHR P16473 3/20 0.42
POLB P06746 3/20 0.41
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
RAD51 Q06609 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BRD4 O60885 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34

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 0.82 PDE2A (0.46) HPGDKMT2ARAD51HTT
SCHEMBL2833418 0.80 KMT2A (0.40) HPGDTSHRPOLBKMT2ALMNA
SCHEMBL7355845 0.79 KMT2A (0.43) HPGDTSHRKMT2AHTT
SCHEMBL1960594 0.78 PDE2A (0.43) HPGDPOLBKMT2ATDP1HTT
SCHEMBL2836366 0.78 PDE2A (0.42) HPGDKMT2AHTT
SCHEMBL1962754 0.78 PDE2A (0.42) HPGDKMT2AHTT
SCHEMBL1959212 0.77 PDE2A (0.42) HPGDPOLBKMT2ATDP1HTT
SCHEMBL7360012 0.77 HPGD (0.47) HPGDPOLBKMT2ATDP1
SCHEMBL1960096 0.77 PDE2A (0.42) HPGDPOLBKMT2ATDP1HTT
SCHEMBL1961391 0.77 PKM (0.47) POLBKMT2ATDP1ALDH1A1SMN1; 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 33 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
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