SCHEMBL5860641

SCHEMBL5860641

CCc1nc([C@H]2CC[C@@H](C(C)(C)C)CC2)n2nc(-c3ccc(Br)cc3)[nH]c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.42
PDE1A P54750 4/20 0.39
PDE1B Q01064 4/20 0.39
PDE1C Q14123 4/20 0.39
TNKS2 Q9H2K2 4/20 0.34
TNKS O95271 3/20 0.34
PARP1 P09874 1/20 0.34
WNT3A P56704 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KHK P50053 1/20 0.32
ADORA2B P29275 2/20 0.32
PARP2 Q9UGN5 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
CTSS P25774 2/20 0.31
PLAT P00750 1/20 0.31

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
SCHEMBL5847439 0.91 PDE5A (0.43) PDE5APDE1APDE1BPDE1CTNKS2
SCHEMBL5859606 0.90 PDE5A (0.42) PDE5APDE1APDE1BPDE1CTNKS2
SCHEMBL5859600 0.90 PDE5A (0.42) PDE5APDE1APDE1BPDE1CTNKS2
SCHEMBL5845866 0.90 PDE5A (0.44) PDE5APDE1APDE1BPDE1CTNKS2
SCHEMBL5845859 0.90 PDE5A (0.44) PDE5APDE1APDE1BPDE1CTNKS2
SCHEMBL5728930 0.89 PDE5A (0.43) PDE5APDE1APDE1BPDE1CTNKS2
SCHEMBL5728934 0.89 PDE5A (0.43) PDE5APDE1APDE1BPDE1CTNKS2
SCHEMBL5884060 0.89 PDE5A (0.51) PDE5APDE1APDE1BPDE1CTNKS2
SCHEMBL5859599 0.89 PDE5A (0.42) PDE5APDE1APDE1BPDE1CPARP1
SCHEMBL5845937 0.89 PDE5A (0.42) PDE5APDE1APDE1BPDE1CPARP1

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-7074790-B2 5-ethylimidarotriazones BAYER HEALTHCARE AG (DE) 2006-07-11 US disclosed
US-20060040942-A1 5-ethylimidarotriazones BAYER HEALTHCARE AG (DE) 2006-02-23 US disclosed
EP-1506198-A1 5-ETHYLIMIDAROTRIAZONES Bayer HealthCare AG (DE) 2005-02-16 EP disclosed
WO-2003097645-A1 5-ETHYLIMIDAROTRIAZONES BAYER HEALTHCARE AG (DE) 2003-11-27 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-20060040942-A1 5-ethylimidarotriazones IL5, EPX, NFATC1 PDE5A 378/4885PDE1A 834/4885PDE1B 1074/4885

“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.