SCHEMBL2836726

SCHEMBL2836726

CC(CCCc1ccccc1)n1nnc2c(=O)[nH]c(C(Cc3ccccc3)C3=COCO3)nc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
RAD51 Q06609 1/20 0.32
PDE9A O76083 3/20 0.32
HPGD P15428 3/20 0.31
TSHR P16473 1/20 0.31
XBP1 P17861 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DHFR P00374 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
NOD2 Q9HC29 1/20 0.30
NOD1 Q9Y239 1/20 0.30

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
SCHEMBL7356646 0.90 KMT2A (0.33) KMT2ARAD51PDE9AHPGDTSHR
SCHEMBL7355194 0.84 KMT2A (0.34) KMT2ARAD51HPGDTSHRNPSR1
SCHEMBL2833418 0.78 KMT2A (0.40) KMT2ARAD51HPGDTSHRXBP1
SCHEMBL2831825 0.75 PDE2A (0.46) KMT2ARAD51PDE9AHPGD
SCHEMBL1963547 0.73 L3MBTL1 (0.41) KMT2APDE9AHPGDTSHRNPSR1
SCHEMBL1961857 0.72 HPGD (0.42) KMT2ARAD51HPGDTSHRXBP1
SCHEMBL1960594 0.72 PDE2A (0.43) KMT2AHPGDATM
SCHEMBL2836366 0.72 PDE2A (0.42) KMT2AHPGD
SCHEMBL1959212 0.71 PDE2A (0.42) KMT2AHPGD
SCHEMBL7355845 0.71 KMT2A (0.43) KMT2APDE9AHPGDTSHR

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 27 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
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
US-20100179152-A1 Novel use for PDE5 inhibitors NYCOMED GMBH (DE) 2010-07-15 US disclosed
US-7666872-B2 Use for PDE5 inhibitors NYCOMED GMBH (DE) 2010-02-23 US disclosed
EP-1740183-A1 NOVEL USE FOR PDE5 INHIBITORS Altana Pharma AG (DE) 2007-01-10 EP disclosed
WO-2006097459-A1 METHOD FOR PREVENTING CARDIOVASCULAR DISEASES NYCOMED GMBH (DE) 2006-09-21 WO 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-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