SCHEMBL6305249

SCHEMBL6305249

CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)cc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.63
ADORA2B P29275 3/20 0.56
PDE3B Q13370 3/20 0.55
PDE3A Q14432 3/20 0.55
ADORA3 P0DMS8 3/20 0.54
ADORA1 P30542 3/20 0.54
PDE2A O00408 1/20 0.50
PDE6D O43924 1/20 0.50
PDE9A O76083 1/20 0.50
CHRM2 P08172 1/20 0.50
PDE6A P16499 1/20 0.50
PDE6G P18545 1/20 0.50
MAOA P21397 1/20 0.50
PDE4A P27815 1/20 0.50
ADRA1A P35348 1/20 0.50
PDE6B P35913 1/20 0.50
PDE6C P51160 1/20 0.50
PDE1A P54750 1/20 0.50
PDE1B Q01064 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL4715352 0.94 PDE5A (0.65) PDE5AADORA2BPDE3BPDE3AADORA3
SCHEMBL6305175 0.93 PDE5A (0.72) PDE5AADORA2BPDE3BPDE3AADORA3
SCHEMBL6304698 0.93 PDE5A (0.65) PDE5AADORA2BPDE3BPDE3AADORA3
SCHEMBL6313024 0.92 PDE5A (0.62) PDE5AADORA2BPDE3BPDE3AADORA3
SCHEMBL6311855 0.91 PDE5A (0.59) PDE5AADORA2BPDE3BPDE3AADORA3
SCHEMBL6309364 0.90 PDE5A (0.68) PDE5AADORA2BPDE3BPDE3AADORA3
SCHEMBL6304667 0.90 PDE5A (0.61) PDE5AADORA2BPDE3BPDE3AADORA3
SCHEMBL4055148 0.87 PDE5A (0.64) PDE5APDE3BPDE3APDE6CPDE11A
SCHEMBL6307678 0.87 PDE5A (0.66) PDE5AADORA2BPDE3BPDE3AADORA3
SCHEMBL6305289 0.86 PDE5A (0.61) PDE5AADORA2BPDE3BPDE3AADORA3

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
US-6943253-B2 6-phenylpyrrolopyrimidinedione derivatives ALMIRALL PRODESFARMA S.A. (ES) 2005-09-13 US disclosed
EP-1286997-B1 6-PHENYLPYRROLOPYRIMIDINEDIONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-08-18 EP disclosed
US-20030232838-A1 Nitrogen compounds such as 3-Methyl-6-(5-(4-methylpiperazine-1-sulphonyl)-2-propoxyphenyl)-1-propyl-1,5-dihydropyrrolo(3,2-d)pyrimidine-2,4-dione, used for prophylaxis of cardiovascular disorders PARALLEL WIRELESS, INC. 2003-12-18 US disclosed
EP-1286997-A1 6-PHENYLPYRROLOPYRIMIDINEDIONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2003-03-05 EP disclosed
WO-2001094350-A1 6-PHENYLPYRROLOPYRIMIDINEDIONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2001-12-13 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-20030232838-A1 Nitrogen compounds such as 3-Methyl-6-(5-(4-methylpiperazine-1-sulphonyl)-2-propoxyphenyl)-1-propyl-1,5-dihydropyrrolo(3,2-d)pyrimidine-2,4-dione, used for prophylaxis of cardiovascular disorders PDE5A, PDE2A, PDE3A PDE5A 1/4885ADORA2B 641/4885PDE3B 4/4885

“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.