SCHEMBL5883679

SCHEMBL5883679

CCCC(C)c1nc(CC)c2c(=O)[nH]c(-c3ccccc3)nn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.49
KHK P50053 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
ADORA2A P29274 3/20 0.36
ADORA2B P29275 3/20 0.36
PDE1A P54750 3/20 0.35
PDE1B Q01064 3/20 0.35
PDE1C Q14123 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 2/20 0.35
TNKS O95271 2/20 0.35
PARP1 P09874 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
PDE2A O00408 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5884423 0.91 PDE5A (0.48) PDE5AKHKPDE3BPDE3AADORA2A
SCHEMBL5883684 0.90 PDE5A (0.47) PDE5AKHKPDE3BPDE3AADORA2A
SCHEMBL5884289 0.89 PDE5A (0.47) PDE5AKHKPDE3BPDE3AADORA2A
SCHEMBL5883373 0.85 PDE5A (0.46) PDE5AKHKPDE3BPDE3AADORA2A
SCHEMBL5883872 0.84 PDE5A (0.44) PDE5AKHKPDE3BPDE3AADORA2A
SCHEMBL5884120 0.80 PDE5A (0.50) PDE5AKHKPDE3BPDE3AADORA2A
SCHEMBL5884419 0.80 PDE5A (0.50) PDE5AKHKPDE3BPDE3APDE1A
SCHEMBL5884327 0.80 PDE5A (0.46) PDE5AKHKPDE3BPDE3AADORA2A
SCHEMBL5884034 0.79 PDE5A (0.56) PDE5AKHKPDE3BPDE3AADORA2A
SCHEMBL5883907 0.77 PDE5A (0.51) PDE5AKHKPDE3BPDE3AADORA2A

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 409/4885KHK 2954/4885PDE3B 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.