SCHEMBL5902149

SCHEMBL5902149

CCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1nn2c(C3CCCC3)nc(C)c2c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.57
▸ PDE1A P54750 7/20 0.57
▸ PDE1B Q01064 7/20 0.57
▸ PDE1C Q14123 7/20 0.57
▸ PDE4B Q07343 2/20 0.42
▸ PDE6A P16499 3/20 0.42
▸ PDE6D O43924 2/20 0.42
▸ PDE6G P18545 2/20 0.42
▸ PDE6B P35913 2/20 0.42
▸ PDE6C P51160 2/20 0.42
▸ PDE6H Q13956 2/20 0.42
▸ PDE2A O00408 1/20 0.42
▸ PDE9A O76083 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42

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
SCHEMBL5901841 0.90 PDE5A (0.57) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL5901277 0.88 PDE5A (0.62) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL5901816 0.87 PDE5A (0.61) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL5901814 0.86 PDE5A (0.64) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL6339983 0.86 PDE5A (0.67) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL5902147 0.86 PDE5A (0.59) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL5901717 0.85 PDE5A (0.58) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL5901635 0.85 PDE5A (0.53) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL5901737 0.85 PDE5A (0.53) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL5902447 0.84 PDE5A (0.57) 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 4 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-6878708-B2 Imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2005-04-12 — — US disclosed
US-20040097498-A1 Novel imidazotriazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2004-05-20 — — 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 (2 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

“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.

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