SCHEMBL972565

SCHEMBL972565

CCCc1nc(CC)c2c(=O)[nH]c(-c3ccccc3OCC)nn12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.79
PDE1A P54750 8/20 0.79
PDE1B Q01064 8/20 0.79
PDE1C Q14123 8/20 0.79
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
KMT2A Q03164 1/20 0.61
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
KDM4E B2RXH2 1/20 0.51
PDE4B Q07343 2/20 0.51
PDE6A P16499 2/20 0.50
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
HDAC2 Q92769 1/20 0.50
PDE2A O00408 1/20 0.50
PDE6D O43924 1/20 0.50
PDE9A O76083 1/20 0.50
CHRM2 P08172 1/20 0.50

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
SCHEMBL5613 0.88 PDE5A (1.00) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL30493634 0.88 PDE5A (1.00) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6852994 0.88 PDE5A (0.79) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL13435578 0.86 PDE5A (0.67) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5901960 0.84 PDE5A (0.65) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL12823086 0.84 PDE5A (0.59) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5673 0.83 PDE5A (0.75) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL6332323 0.82 PDE5A (0.86) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5901731 0.81 PDE5A (0.61) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL973661 0.81 PDE5A (0.86) PDE5APDE1APDE1BPDE1CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 US disclosed
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 US disclosed
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 US disclosed
EP-2295436-A1 2-Phenyl-subsitituted Imidazotriazinones as Phosphodiesterase V inhibitors Bayer Schering Pharma AG (DE) 2011-03-16 EP disclosed
US-20110009367-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-13 US disclosed
US-20110009367-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-13 US disclosed
US-7704999-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-7704999-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-7704999-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-7696206-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-13 US disclosed
EP-1280805-B1 NOVEL IMIDAZOTRIAZINONES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2005-02-09 EP disclosed
US-20040097498-A1 Novel imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-20040067945-A1 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-04-08 US disclosed
US-6566360-B1 Administering 2-phenyl-substituted imidazotriazinones having short, unbranched alkyl radicals in the 9-position for therapy of hypertrophy of the prostate, incontinence or female sexual dysfunction in mammals BAYER AKTIENGESELLSCHAFT (DE) 2003-05-20 US disclosed
EP-1280805-A1 NOVEL IMIDAZOTRIAZINONES AND THE USE THEREOF Bayer Aktiengesellschaft (DE) 2003-02-05 EP disclosed
US-6362178-B1 TREATMENT OF CARDIOVASCULAR DIORDERS, CEREBROVASCULAR DISORDERS, UROGENITAL DISORDERS AND ERECTILE DYSFUNCTION BAYER AKTIENGESELLSCHAFT (DE) 2002-03-26 US disclosed
EP-1174431-A2 2-Phenyl-substituited Imidazotriazinones as Phoshodiesterase Inhibitors Bayer Aktiengesellschaft (DE) 2002-01-23 EP disclosed
WO-2001064677-A1 NOVEL IMIDAZOTRIAZINONES AND THE USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2001-09-07 WO disclosed
EP-1049695-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER AG (DE) 2000-11-08 EP disclosed
WO-1999024433-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1999-05-20 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 (4 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-20040097498-A1 Novel imidazotriazinones and the use thereof CYP4F3, CYP4F2, CYP3A7 PDE5A 469/4885PDE1A 407/4885PDE1B 346/4885
US-20110009367-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE2A PDE5A 4/4885PDE1A 25/4885PDE1B 14/4885
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE2A PDE5A 4/4885PDE1A 25/4885PDE1B 14/4885
US-20040067945-A1 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors PDE3B, PDE3A, PDE2A PDE5A 4/4885PDE1A 25/4885PDE1B 14/4885

“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.