SCHEMBL5263123

SCHEMBL5263123

C#CCNS(=O)(=O)c1ccc(OCCC)c(-c2[nH]c3c(c2Br)n(CCC)c(=O)n2cnnc32)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.40
PDE6D O43924 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE6B P35913 1/20 0.35
PDE6C P51160 1/20 0.35
PDE6H Q13956 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
SCHEMBL5261074 0.92 PDE5A (0.36) PDE5A
SCHEMBL5264617 0.87 PDE5A (0.40) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5258961 0.87 PDE5A (0.38) PDE5APDE6C
SCHEMBL5260344 0.86 PDE5A (0.44) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5830971 0.86 PDE5A (0.57) PDE5A
SCHEMBL5827446 0.85 PDE5A (0.49) PDE5A
SCHEMBL5260296 0.83 PDE5A (0.55) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5261737 0.83 ADORA1 (0.43) PDE5A
SCHEMBL5261393 0.83 PDE5A (0.47) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5830458 0.82 PDE5A (0.53) 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 disclosed
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 1/4885PDE6D 13/4885PDE6A 12/4885

“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.