SCHEMBL5883907

SCHEMBL5883907

CCCCc1nc(CC)c2c(=O)[nH]c(-c3ccccc3)nn12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.51
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
ADORA3 P0DMS8 9/20 0.42
ADORA1 P30542 1/20 0.42
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ADORA2A P29274 2/20 0.40
PARP1 P09874 1/20 0.39
ADORA2B P29275 1/20 0.38
KHK P50053 1/20 0.38

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
SCHEMBL5883600 0.97 PDE5A (0.50) PDE5APDE1APDE1BPDE1CADORA3
SCHEMBL5883486 0.95 PDE5A (0.49) PDE5APDE1APDE1BPDE1CADORA3
SCHEMBL5883681 0.95 PDE5A (0.49) PDE5APDE1APDE1BPDE1CADORA3
SCHEMBL5884034 0.93 PDE5A (0.56) PDE5APDE1APDE1BPDE1CADORA3
SCHEMBL5884120 0.89 PDE5A (0.50) PDE5APDE1APDE1BPDE1CADORA3
SCHEMBL5883970 0.84 PDE5A (0.48) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL5884327 0.84 PDE5A (0.46) PDE5APDE1APDE1BPDE1CADORA3
SCHEMBL5883634 0.84 PDE5A (0.46) PDE5APDE1APDE1BPDE1CADORA3
SCHEMBL5883964 0.83 PDE5A (0.46) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL5884213 0.83 PDE5A (0.45) PDE5APDE1APDE1BPDE1CADORA3

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 PDE5A 409/4885PDE1A 860/4885PDE1B 1362/4885

“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.