SCHEMBL5884078

SCHEMBL5884078

CCc1nc(CC2CC3CCC2C3)n2nc(C3CCCC3)[nH]c(=O)c12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KHK P50053 6/20 0.35
PDE5A O76074 2/20 0.34
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
ADORA1 P30542 3/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
TMIGD3 P0DMS9 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL5883216 0.82 ADORA2B (0.37) KHKPDE5ADRD1DRD5ADORA1
SCHEMBL5884070 0.80 PDE5A (0.39) KHKPDE5A
SCHEMBL5884027 0.78 ADORA1 (0.37) KHKPDE5AADORA1ADORA2AADORA2B
SCHEMBL5884084 0.78 KHK (0.36) KHKPDE5ADRD1DRD5ADORA1
SCHEMBL5883465 0.76 PDE5A (0.47) KHKPDE5AADORA1ADORA2AADORA2B
SCHEMBL5884388 0.75 PDE5A (0.46) KHKPDE5AADORA1ADORA2AADORA2B
SCHEMBL5884346 0.75 PDE5A (0.46) KHKPDE5AADORA1ADORA2AADORA2B
SCHEMBL5883962 0.75 PDE5A (0.46) KHKPDE5AADORA1ADORA2AADORA2B
SCHEMBL5883665 0.75 PDE5A (0.46) KHKPDE5AADORA1ADORA2AADORA2B
SCHEMBL5884330 0.73 PDE5A (0.40) KHKPDE5AADORA1ADORA2AADORA2B

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 5 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
EP-1397363-A1 5-ETHYL-IMIDAZOTRIAZINONES Bayer HealthCare AG (DE) 2004-03-17 EP disclosed
WO-2002098880-A1 5-ETHYL-IMIDAZOTRIAZINONES BAYER HEALTHCARE AG (DE) 2002-12-12 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 (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 KHK 2954/4885PDE5A 409/4885DRD1 3898/4885

“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.