SCHEMBL5901591

SCHEMBL5901591

CCCCCCCc1nc(C)c2c(=O)[nH]c(-c3ccccc3OCC)nn12

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.85
PDE1A P54750 8/20 0.85
PDE1B Q01064 8/20 0.85
PDE1C Q14123 8/20 0.85
HDAC1 Q13547 4/20 0.56
HDAC6 Q9UBN7 4/20 0.56
PDE4B Q07343 2/20 0.55
HDAC2 Q92769 3/20 0.54
PDE6A P16499 2/20 0.54
PDE2A O00408 1/20 0.54
PDE6D O43924 1/20 0.54
PDE9A O76083 1/20 0.54
CHRM2 P08172 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
PDE6G P18545 1/20 0.54
MAOA P21397 1/20 0.54
PDE4A P27815 1/20 0.54
ADORA1 P30542 1/20 0.54
ADRA1A P35348 1/20 0.54
PDE6B P35913 1/20 0.54

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
SCHEMBL6332617 1.00 PDE5A (0.85) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL5901813 1.00 PDE5A (0.85) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL6332323 0.99 PDE5A (0.86) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL30493634 0.92 PDE5A (1.00) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL5613 0.92 PDE5A (1.00) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL5902783 0.85 PDE5A (0.70) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL973661 0.85 PDE5A (0.86) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL6332643 0.84 PDE5A (0.66) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL6334314 0.84 PDE5A (0.66) PDE5APDE1APDE1BPDE1CHDAC1
SCHEMBL6330112 0.84 PDE5A (0.66) PDE5APDE1APDE1BPDE1CHDAC1

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
US-7098207-B2 Imidazotriazinones and the use thereof BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-29 US disclosed
US-20050267112-A1 Novel imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (US) 2005-12-01 US disclosed
US-6943163-B2 7-Alkyl and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-09-13 US disclosed
US-6878708-B2 Imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2005-04-12 US disclosed
US-20050049250-A1 7-Aikyl and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-03-03 US disclosed
EP-1280805-B1 NOVEL IMIDAZOTRIAZINONES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2005-02-09 EP disclosed
US-6838459-B1 7-alkyl-and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-01-04 US disclosed
US-20040097498-A1 Novel imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
EP-1280805-A1 NOVEL IMIDAZOTRIAZINONES AND THE USE THEREOF Bayer Aktiengesellschaft (DE) 2003-02-05 EP disclosed
US-6476029-B1 7-alkyl- and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
WO-2001064677-A1 NOVEL IMIDAZOTRIAZINONES AND THE USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2001-09-07 WO disclosed
EP-1090003-A1 7-ALKYL- AND CYCLOALKYL-SUBSTITUTED IMIDAZOTRIAZINONES Bayer Aktiengesellschaft (DE) 2001-04-11 EP disclosed
WO-1999067244-A1 7-ALKYL- AND CYCLOALKYL-SUBSTITUTED IMIDAZOTRIAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-12-29 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-20040097498-A1 Novel imidazotriazinones and the use thereof CYP4F3, CYP4F2, CYP3A7 PDE5A 469/4885PDE1A 407/4885PDE1B 346/4885
US-20050267112-A1 Novel imidazotriazinones and the use thereof CYP3A7, CYP4F2, CYP4F3 PDE5A 338/4885PDE1A 376/4885PDE1B 285/4885
US-20050049250-A1 7-Aikyl and cycloalkyl-substituted imidazotriazinones PDE3A, PDE2A, PDE3B PDE5A 6/4885PDE1A 35/4885PDE1B 66/4885

“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.