SCHEMBL5261002

SCHEMBL5261002

CCCOc1ccc(S(=O)(=O)NCCO)cc1-c1[nH]c2c(c1Cl)n(CCC)c(=O)n1cnnc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
PDE5A O76074 17/20 0.39
ADORA2B P29275 1/20 0.38
CA1 P00915 1/20 0.38
PDE2A O00408 1/20 0.37
PDE9A O76083 1/20 0.37
PDE4A P27815 1/20 0.37
PDE6C P51160 1/20 0.37
PDE1A P54750 1/20 0.37
PDE11A Q9HCR9 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL5261737 0.92 ADORA1 (0.43) PDE5A
SCHEMBL5261074 0.90 PDE5A (0.36) PDE5A
SCHEMBL5830513 0.90 ADORA3 (0.46) PDE5AADORA2B
SCHEMBL5261527 0.90 PDE5A (0.45) CA12CA9PDE5A
SCHEMBL5261431 0.89 PDE5A (0.52) CA12CA9PDE5A
SCHEMBL5261815 0.88 PDE5A (0.40) PDE5AADORA2B
SCHEMBL5263080 0.87 PDE5A (0.47) CA12CA9PDE5A
SCHEMBL5830512 0.86 PDE5A (0.43) PDE5AADORA2B
SCHEMBL5260805 0.86 PDE5A (0.42) PDE5APDE6CPDE11A
SCHEMBL5258961 0.85 PDE5A (0.38) CA12CA9PDE5APDE2APDE9A

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 5 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-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives VIDAL JUAN BERNAT (ES) 2004-01-29 US claimed
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 CA12 4544/4885CA9 884/4885PDE5A 1/4885

“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.