SCHEMBL2835216

SCHEMBL2835216

COc1ccc(Cc2nc3c(nnn3C(C)CCCc3ccccc3)c(=O)[nH]2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 10/20 0.55
POLB P06746 1/20 0.45
CCNE2 O96020 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7354927 0.91 PDE2A (0.57) PDE2APOLBCCNE2CCNE1CDK2
SCHEMBL7355722 0.89 ADORA3 (0.48) PDE2APOLBCCNE2CCNE1CDK2
SCHEMBL2831825 0.89 PDE2A (0.46) PDE2AHPGDKMT2A
SCHEMBL1960594 0.87 PDE2A (0.43) PDE2APOLBHPGDKMT2A
SCHEMBL2839457 0.87 RNASEH1 (0.42) PDE2ACCNE2CCNE1CDK2CDK4
SCHEMBL2836366 0.86 PDE2A (0.42) PDE2AHPGDKMT2A
SCHEMBL1959212 0.85 PDE2A (0.42) PDE2APOLBCCNE2CCNE1CDK2
SCHEMBL7360012 0.85 HPGD (0.47) PDE2APOLBHPGDKMT2A
SCHEMBL1960096 0.85 PDE2A (0.42) PDE2APOLBCCNE2CCNE1CDK2
SCHEMBL7355845 0.85 KMT2A (0.43) PDE2ACCNE2CCNE1CDK2CDK4

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 28 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
CN-107847462-B Targeting cGMP-related phosphodiesterases to reduce cyst formation of cystic kidney disease and related materials and methods 美国印第安纳大学研究和技术公司 2021-08-10 CN 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
WO-2006097459-A1 METHOD FOR PREVENTING CARDIOVASCULAR DISEASES NYCOMED GMBH (DE) 2006-09-21 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