SCHEMBL5884330

SCHEMBL5884330

CCc1nc(C2CC2C)n2nc(C3CCCC3)[nH]c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.40
ADORA1 P30542 5/20 0.37
ADORA2B P29275 6/20 0.37
ADORA2A P29274 5/20 0.37
KHK P50053 2/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
MEN1 O00255 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
TMIGD3 P0DMS9 1/20 0.34
PDE9A O76083 1/20 0.34

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
SCHEMBL5883703 0.92 PDE5A (0.39) PDE5AADORA1ADORA2BADORA2AKHK
SCHEMBL5883465 0.89 PDE5A (0.47) PDE5AADORA1ADORA2BADORA2AKHK
SCHEMBL5883665 0.88 PDE5A (0.46) PDE5AADORA1ADORA2BADORA2AKHK
SCHEMBL5884388 0.88 PDE5A (0.46) PDE5AADORA1ADORA2BADORA2AKHK
SCHEMBL5883962 0.88 PDE5A (0.46) PDE5AADORA1ADORA2BADORA2AKHK
SCHEMBL5884346 0.88 PDE5A (0.46) PDE5AADORA1ADORA2BADORA2AKHK
SCHEMBL5884000 0.85 PDE5A (0.44) PDE5AADORA1ADORA2BADORA2AKHK
SCHEMBL5884285 0.84 PDE5A (0.38) PDE5AADORA1ADORA2BADORA2AKHK
SCHEMBL6394807 0.83 PDE5A (0.43) PDE5AADORA1KHKPDE1APDE1B
SCHEMBL5845071 0.81 PDE5A (0.42) PDE5AADORA1ADORA2BADORA2AKHK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087605-B2 5-Ethyl-imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
EP-1397363-B1 5-ETHYL-IMIDAZOTRIAZINONES BAYER HEALTHCARE AG (DE) 2005-05-11 EP disclosed
US-20040254187-A1 5-ethyl-imidazotriazinones BAYER HEALTHCARE AG (DE) 2004-12-16 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 (1 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-20040254187-A1 5-ethyl-imidazotriazinones EPX, TPMT, IL5 PDE5A 409/4885ADORA1 1578/4885ADORA2B 1678/4885

“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.