SCHEMBL5260943

SCHEMBL5260943

CCCn1c(=O)n2cnnc2c2[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)c(Cl)c21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.41
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34

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
SCHEMBL5261815 0.94 PDE5A (0.40) PDE5AADORA2AADORA2B
SCHEMBL5263571 0.92 PDE5A (0.41) PDE5AADORA2AADORA2BPDE3BPDE3A
SCHEMBL5262492 0.89 PDE5A (0.57) PDE5AADORA2APDE3BPDE3APDE1A
SCHEMBL5830709 0.88 PDE5A (0.51) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5261432 0.88 PDE5A (0.49) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5258961 0.88 PDE5A (0.38) PDE5AKDM4EPDE1A
SCHEMBL7016108 0.87 PDE5A (0.41) PDE5AADORA2AADORA2BKMT2AKDM4E
SCHEMBL5831211 0.87 PDE5A (0.51) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5264617 0.86 PDE5A (0.40) PDE5AADORA2AADORA2B
SCHEMBL5830717 0.86 PDE5A (0.44) PDE5APDE3BPDE3APDE1APDE1B

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 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
EP-1307458-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2003-05-07 EP disclosed
WO-2002012246-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2002-02-14 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-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives PDE5A, PDE3A, PDE2A PDE5A 1/4885ADORA2A 847/4885ADORA2B 1014/4885

“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.