SCHEMBL5261563

SCHEMBL5261563

CCCOc1ccc(S(=O)(=O)N2CCCN(CCO)CC2)cc1-c1[nH]c2c(c1Br)n(CCC)c(=O)n1cnnc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.52
PDE1A P54750 6/20 0.44
PDE1B Q01064 6/20 0.44
PDE1C Q14123 6/20 0.44
PDE6D O43924 1/20 0.43
PDE6A P16499 1/20 0.43
PDE6G P18545 1/20 0.43
PDE6B P35913 1/20 0.43
PDE6C P51160 1/20 0.43
PDE6H Q13956 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL5259436 0.97 PDE5A (0.54) PDE5APDE1APDE1BPDE1CPDE6D
SCHEMBL5831068 0.93 PDE5A (0.53) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL5262294 0.91 PDE5A (0.52) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5830458 0.91 PDE5A (0.53) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5261773 0.90 PDE5A (0.54) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL5830642 0.90 PDE5A (0.47) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5260296 0.90 PDE5A (0.55) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5830538 0.88 PDE5A (0.50) PDE5APDE1APDE1BPDE1CPDE3B
SCHEMBL5830573 0.88 PDE5A (0.46) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5261393 0.88 PDE5A (0.47) PDE5APDE6DPDE6APDE6GPDE6B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307458-B1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL LAB (ES) 2007-10-03 EP claimed
US-7060824-B2 Pyrrolotriazolopyrimidinone derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-06-13 US disclosed
US-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives VIDAL JUAN BERNAT (ES) 2004-01-29 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-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE1A 21/4885PDE1B 26/4885

“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.