SCHEMBL688514

SCHEMBL688514

OCc1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 1.00
HIF1A Q16665 3/20 0.75
EPAS1 Q99814 3/20 0.75
CYP1A2 P05177 2/20 0.75
CYP3A4 P08684 2/20 0.75
CYP2D6 P10635 2/20 0.75
KDM4E B2RXH2 1/20 0.75
NPC1 O15118 1/20 0.75
GMNN O75496 1/20 0.75
ALDH1A1 P00352 1/20 0.75
LMNA P02545 1/20 0.75
TP53 P04637 1/20 0.75
MAPT P10636 1/20 0.75
CYP2C9 P11712 1/20 0.75
HPGD P15428 1/20 0.75
ALOX15 P16050 1/20 0.75
NFKB1 P19838 1/20 0.75
MAPK1 P28482 1/20 0.75
CYP2C19 P33261 1/20 0.75
RAB9A P51151 1/20 0.75

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
SCHEMBL5560137 0.91 PDE5A (0.84) PDE5AHIF1AEPAS1CYP1A2CYP3A4
SCHEMBL6224032 0.91 PDE5A (0.83) PDE5AHIF1AEPAS1CYP1A2CYP3A4
SCHEMBL14264655 0.89 PDE5A (0.80) PDE5AHIF1AEPAS1CYP1A2CYP3A4
SCHEMBL27596195 0.88 PDE5A (0.78) PDE5AHIF1AEPAS1CYP1A2CYP3A4
SCHEMBL5565474 0.88 PDE5A (0.78) PDE5AHIF1AEPAS1CYP1A2CYP3A4
SCHEMBL5564961 0.88 PDE5A (0.78) PDE5AHIF1AEPAS1CYP1A2CYP3A4
SCHEMBL6222315 0.87 PDE5A (0.77) PDE5AHIF1AEPAS1CYP1A2CYP3A4
SCHEMBL2956590 0.87 PDE5A (1.00) PDE5AHIF1AEPAS1CYP1A2CYP3A4
SCHEMBL5565106 0.87 PDE5A (0.77) PDE5AHIF1AEPAS1CYP1A2CYP3A4
SCHEMBL5565117 0.86 PDE5A (0.82) PDE5AHIF1AEPAS1CYP1A2CYP3A4

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 74 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
JP-2006528229-A 2006-12-14 JP claimed
CN-1842332-A Compounds, compositions and methods HIF BIO INC (US) 2006-10-04 CN claimed
US-20060148693-A1 Composition comprising a pulmonary surfactant and a pde5 inhibitor for the treatment of lung diseases ALTANA PHARMA AG (DE) 2006-07-06 US claimed
US-20060094723-A1 Composition comprising a pde4 inhibitor and a pde5 inhibitor NYCOMED GMBH (DE) 2006-05-04 US claimed
EP-1646382-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO INC. (US) 2006-04-19 EP claimed
EP-1638567-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE5 INHIBITOR FOR THE TREATMENT OF LUNG DISEASES ALTANA Pharma AG (DE) 2006-03-29 EP claimed
EP-1628682-A2 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR ALTANA Pharma AG (DE) 2006-03-01 EP claimed
US-20050187276-A1 Compounds, compositions and methods BIZBIOTECH CO., LTD. (KR) 2005-08-25 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
WO-2005030121-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO, INC. (US) 2005-04-07 WO claimed
WO-2004110450-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE5 INHIBITOR FOR THE TREATMENT OF LUNG DISEASES ALTANA PHARMA AG (DE) 2004-12-23 WO claimed
WO-2004103407-A2 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR ALTANA PHARMA AG (DE) 2004-12-02 WO 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
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US 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
EP-0667345-A1 1-Benzyl-3-(substituted aryl)-condensed pyrazole derivatives as inhibitors of platelet aggregation Yung Shin Pharm. Ind. Co. Ltd. (TW) 1995-08-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B PDE5A 255/4885HIF1A 2016/4885EPAS1 1859/4885
US-20060094723-A1 Composition comprising a pde4 inhibitor and a pde5 inhibitor PDE5A, PDE12, PDE4A PDE5A 1/4885HIF1A 2313/4885EPAS1 325/4885
US-20050187276-A1 Compounds, compositions and methods HIF1A, HIF1AN, EGLN3 PDE5A 1987/4885HIF1A 1/4885EPAS1 50/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.