SCHEMBL432071

SCHEMBL432071

Clc1ccc2nc(-c3ncc[nH]3)nc(NCc3ccccc3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.62
HTR3A P46098 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
PKM P14618 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
GBA1 P04062 1/20 0.46
ATM Q13315 1/20 0.46
PTGS1 P23219 1/20 0.46
TBXAS1 P24557 1/20 0.46
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TYMS P04818 1/20 0.44

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
SCHEMBL5081902 0.81 HTR3A (0.45) PDE5AHTR3AHRH4NPC1ALDH1A1
SCHEMBL5595129 0.81 PDE5A (0.52) PDE5AHTR3AHRH4PKMGAA
Hydrochloric Acid SCHEMBL7278529 0.80 PDE5A (0.53) PDE5AHTR3AHRH4PKMGAA
SCHEMBL7442498 0.79 PDE5A (0.77) PDE5AHTR3AHRH4MEN1KMT2A
SCHEMBL4652135 0.78 PDE5A (0.49) PDE5AHTR3AHRH4PKMKMT2A
SCHEMBL3977603 0.77 PDE5A (0.70) PDE5AHTR3AHRH4MEN1KMT2A
SCHEMBL2590769 0.77 RAD52 (0.68) PDE5AHTR3AHRH4PKMKMT2A
SCHEMBL3638867 0.77 PDE5A (0.73) PDE5AHTR3AHRH4PKMKMT2A
SCHEMBL432876 0.76 PDE5A (1.00) PDE5AMEN1KMT2AGAAMAPT
SCHEMBL1083888 0.76 MAPK1 (0.73) PDE5AHTR3AHRH4MEN1KMT2A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009013286-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 WO claimed
EP-1890699-A1 INDACTEROL DERIVATIVES AND PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF AIRWAY DISEASES Novartis AG (CH) 2008-02-27 EP claimed
WO-2006128675-A1 INDACTEROL DERIVATIVES AND PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF AIRWAY DISEASES NOVARTIS AG (CH) 2006-12-07 WO claimed
JP-2002532542-A 2002-10-02 JP claimed
EP-1140044-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION Novartis AG (CH) 2001-10-10 EP claimed
WO-2000037061-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2000-06-29 WO claimed
EP-2755708-A2 INHALER Astrazeneca AB (SE) 2014-07-23 EP disclosed
EP-2755707-A1 INHALER Astrazeneca AB (SE) 2014-07-23 EP disclosed
EP-2595683-A2 INHALER AstraZeneca AB (SE) 2013-05-29 EP disclosed
EP-2595684-A1 INHALER AstraZeneca AB (SE) 2013-05-29 EP disclosed
WO-2013038170-A2 INHALER ASTRAZENECA AB (SE) 2013-03-21 WO disclosed
WO-2013038169-A1 INHALER ASTRAZENECA AB (SE) 2013-03-21 WO disclosed
EP-2534054-A1 PROCESS FOR PROVIDING A FILLED CANISTER FOR AN INHALER AstraZeneca UK Limited (GB) 2012-12-19 EP disclosed
WO-2009154562-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
WO-2009037503-A2 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-03-26 WO disclosed
WO-2009013286-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 WO disclosed
EP-1890699-A1 INDACTEROL DERIVATIVES AND PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF AIRWAY DISEASES Novartis AG (CH) 2008-02-27 EP disclosed
WO-2006128675-A1 INDACTEROL DERIVATIVES AND PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF AIRWAY DISEASES NOVARTIS AG (CH) 2006-12-07 WO disclosed
EP-1140044-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION Novartis AG (CH) 2001-10-10 EP disclosed
WO-2000037061-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2000-06-29 WO disclosed