SCHEMBL1962546

SCHEMBL1962546

COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(C#N)cc23)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00
PDE2A O00408 2/20 1.00

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
Hydrochloric Acid SCHEMBL4219631 0.99 PDE5A (1.00) PDE5APDE2A
Hydrochloric Acid SCHEMBL29801632 0.99 PDE5A (1.00) PDE5APDE2A
SCHEMBL7075322 0.95 PDE5A (0.91) PDE5APDE2A
Hydrochloric Acid SCHEMBL6779907 0.94 PDE5A (0.91) PDE5APDE2A
SCHEMBL7069826 0.92 PDE5A (1.00) PDE5APDE2A
SCHEMBL7076554 0.92 PDE5A (0.85) PDE5APDE2A
SCHEMBL7687603 0.91 PDE5A (0.84) PDE5APDE2A
Hydrochloric Acid SCHEMBL6718480 0.91 PDE5A (0.85) PDE5APDE2A
SCHEMBL7680563 0.91 PDE5A (0.84) PDE5APDE2A
Hydrochloric Acid SCHEMBL6594538 0.91 PDE5A (1.00) PDE5APDE2A

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 61 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
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-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-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-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
WO-2003051346-A2 USE OF SELECTIVE PDE5 INHIBITORS FOR TREATING PARTIAL AND GLOBAL RESPIRATORY FAILURE ALTANA PHARMA AG (DE) 2003-06-26 WO claimed
US-6288064-B1 PHOSPHODIESTERASE INHIBITORS; PHTHALAZINE DERIVATIVES EISAI CO., LTD. (JP) 2001-09-11 US claimed
EP-0920868-A1 REMEDY FOR ERECTION FAILURE COMPRISING FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1999-06-09 EP 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
EP-0920868-A1 REMEDY FOR ERECTION FAILURE COMPRISING FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1999-06-09 EP disclosed
US-5849741-A Fused pyridazine compounds EISAI CO., LTD. (JP) 1998-12-15 US disclosed
EP-0722936-A1 FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1996-07-24 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 (1 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-20060094723-A1 Composition comprising a pde4 inhibitor and a pde5 inhibitor PDE5A, PDE12, PDE4A PDE5A 1/4885PDE2A 8/4885

“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.