SCHEMBL12822848

SCHEMBL12822848

CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCCN(C)C)CC4)ccc3OCC)nn12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.82
PDE1A P54750 6/20 0.82
PDE1B Q01064 6/20 0.82
PDE1C Q14123 6/20 0.82
PDE4B Q07343 2/20 0.81
PDE6A P16499 2/20 0.81
PDE3B Q13370 2/20 0.81
PDE3A Q14432 2/20 0.81
PDE2A O00408 1/20 0.81
PDE6D O43924 1/20 0.81
PDE9A O76083 1/20 0.81
CHRM2 P08172 1/20 0.81
ADORA3 P0DMS8 1/20 0.81
PDE6G P18545 1/20 0.81
MAOA P21397 1/20 0.81
PDE4A P27815 1/20 0.81
ADORA1 P30542 1/20 0.81
ADRA1A P35348 1/20 0.81
PDE6B P35913 1/20 0.81
PDE6C P51160 1/20 0.81

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
SCHEMBL12922521 0.96 PDE5A (0.84) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL24418486 0.92 PDE5A (0.90) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL972730 0.91 PDE5A (0.92) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL5517 0.90 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE4B
Vardenafil SCHEMBL29390262 0.90 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE4B
Vardenafil SCHEMBL5772 0.90 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL17390194 0.90 PDE5A (0.83) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL8218692 0.89 PDE5A (0.85) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL975270 0.89 PDE5A (0.85) PDE5APDE1APDE1BPDE1CPDE4B
Hydrochloric Acid SCHEMBL973844 0.89 PDE5A (0.98) PDE5APDE1APDE1BPDE1CPDE4B

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 15 patents. 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
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-7696206-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-13 US disclosed
US-7696206-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-13 US disclosed
US-20100016323-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-21 US disclosed
US-20100016323-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-21 US disclosed
US-20080113972-A1 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2008-05-15 US disclosed
US-20080113972-A1 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2008-05-15 US disclosed
US-7314871-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors, for treatment of hypertension BAYER AKTIENGESELLSCHAFT (DE) 2008-01-01 US disclosed
US-7314871-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors, for treatment of hypertension BAYER AKTIENGESELLSCHAFT (DE) 2008-01-01 US 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-20100016323-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3A, PDE2A, PDE3B PDE5A 4/4885PDE1A 18/4885PDE1B 21/4885
US-20080113972-A1 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors PDE3B, PDE3A, PDE2A PDE5A 4/4885PDE1A 25/4885PDE1B 14/4885
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

“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.