SCHEMBL5859641

SCHEMBL5859641

CCc1nc(C2CCC2)n2nc(-c3ccc(C(=O)O)cc3)[nH]c(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.47
PDE1A P54750 4/20 0.44
PDE1B Q01064 4/20 0.44
PDE1C Q14123 4/20 0.44
ADORA2B P29275 4/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 2/20 0.36
KMT2A Q03164 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
KHK P50053 1/20 0.35
DHFR P00374 1/20 0.34
PDE4D Q08499 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MTHFD2 P13995 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
HDAC1 Q13547 1/20 0.33

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
SCHEMBL5859626 0.98 PDE5A (0.49) PDE5APDE1APDE1BPDE1CADORA2B
SCHEMBL5860610 0.90 PDE5A (0.41) PDE5APDE1APDE1BPDE1CADORA2B
SCHEMBL5859742 0.89 PDE5A (0.48) PDE5APDE1APDE1BPDE1CADORA2B
SCHEMBL5884365 0.89 PDE5A (0.52) PDE5APDE1APDE1BPDE1CADORA2A
SCHEMBL5884434 0.88 PDE5A (0.49) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5883903 0.87 PDE5A (0.49) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5860677 0.87 PDE5A (0.51) PDE5APDE1APDE1BPDE1CADORA2B
SCHEMBL5884355 0.86 PDE5A (0.55) PDE5APDE1APDE1BPDE1CADORA2A
SCHEMBL5884416 0.85 PDE5A (0.54) PDE5APDE1APDE1BPDE1CADORA2A
SCHEMBL5883869 0.85 PDE5A (0.54) PDE5APDE1APDE1BPDE1CADORA2A

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.