SCHEMBL6636364

SCHEMBL6636364

O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1CC1CC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.71
PDE4D Q08499 12/20 0.69
PDE4C Q08493 7/20 0.69
PDE4B Q07343 4/20 0.69
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46
IDO1 P14902 1/20 0.42
CFTR P13569 1/20 0.41
TOP1 P11387 1/20 0.39

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
SCHEMBL7359713 0.85 PDE4A (0.75) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7363642 0.83 PDE4A (0.87) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL8330861 0.82 PDE4A (0.76) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7361971 0.82 PDE4A (0.60) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL31427009 0.82 PDE4A (1.00) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL6637552 0.82 PDE4A (1.00) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL31427010 0.82 PDE4A (1.00) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL8697092 0.82 PDE4A (0.75) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7360388 0.82 PDE4D (0.66) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL7367220 0.81 PDE4A (0.98) PDE4APDE4DPDE4CPDE4BPDE3B

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1418896-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION Vivus, Inc. (US) 2004-05-19 EP claimed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 WO claimed
US-8399466-B2 Composition for regenerative treatment of cartilage disease MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-03-19 US disclosed
US-8252794-B2 Composition for regenerative treatment of cartilage disease MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-28 US disclosed
US-20100226993-A1 COMPOSITION FOR REGENERATIVE TREATMENT OF CARTILAGE DISEASE TANABE SEIYAKU CO., LTD. 2010-09-09 US disclosed
EP-2193808-A1 Synergistic combination Nycomed GmbH (DE) 2010-06-09 EP disclosed
US-7659273-B2 adminstering phosphodiesterase-4 inhibitor selected from 2,3-bis(hydroxymethyl)-6,7-diethoxy-1-[1-(2-methoxyethyl)-2-oxo-4-pyridyl]naphthalene or 2,3-bis(hydroxymethyl) -6,7-diethoxy-1-[2-(4-(3-pyridyl)-1(2H)-phthaladinon-2-yl)-4-pyridyl]naphthalene MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-02-09 US disclosed
US-20080031958-A1 adminstering phosphodiesterase-4 inhibitor selected from 2,3-bis(hydroxymethyl)-6,7-diethoxy-1-[1-(2-methoxyethyl)-2-oxo-4-pyridyl]naphthalene or 2,3-bis(hydroxymethyl) -6,7-diethoxy-1-[2-(4-(3-pyridyl)-1(2H)-phthaladinon-2-yl)-4-pyridyl]naphthalene TANABE SEIYAKU CO., LTD. 2008-02-07 US disclosed
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
US-20070155652-A1 Composition for regenerative treatment of cartilage disease TANABE SEIYAKU CO., LTD. 2007-07-05 US disclosed
EP-1418896-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION Vivus, Inc. (US) 2004-05-19 EP disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 WO 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-20080031958-A1 adminstering phosphodiesterase-4 inhibitor selected from 2,3-bis(hydroxymethyl)-6,7-diethoxy-1-[1-(2-methoxyethyl)-2-oxo-4-pyridyl]naphthalene or 2,3-bis(hydroxymethyl) -6,7-diethoxy-1-[2-(4-(3-pyridyl)-1(2H)-phthaladinon-2-yl)-4-pyridyl]naphthalene PDE4A, PDE7A, PDE4B PDE4A 1/4885PDE4D 4/4885PDE4C 7/4885
US-20100226993-A1 COMPOSITION FOR REGENERATIVE TREATMENT OF CARTILAGE DISEASE PDE4B, PDE4A, PDE4C PDE4A 2/4885PDE4D 6/4885PDE4C 3/4885
US-20070155652-A1 Composition for regenerative treatment of cartilage disease PDE4B, PDE4A, PDE4C PDE4A 2/4885PDE4D 6/4885PDE4C 3/4885

“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.