SCHEMBL5859600

SCHEMBL5859600

CCc1nc(C2CCC(C(C)(C)C)CC2)n2nc(-c3ccc(N)cc3)[nH]c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 12)

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
TNKS O95271 5/20 0.34
TNKS2 Q9H2K2 5/20 0.34
PARP1 P09874 4/20 0.34
KHK P50053 2/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL5859606 1.00 PDE5A (0.42) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL5847439 0.91 PDE5A (0.43) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL5860641 0.90 PDE5A (0.42) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL5845866 0.90 PDE5A (0.44) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL5845859 0.90 PDE5A (0.44) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL5728930 0.89 PDE5A (0.43) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL5728934 0.89 PDE5A (0.43) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL5860660 0.89 PDE5A (0.42) PDE5APDE1APDE1BPDE1CKHK
SCHEMBL5860627 0.89 PDE5A (0.40) PDE5APDE1APDE1BPDE1CTNKS
SCHEMBL5860664 0.89 PDE5A (0.42) PDE5APDE1APDE1BPDE1CKHK

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 2 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

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.