SCHEMBL6306248

SCHEMBL6306248

CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1[nH]c2c(=O)n(C)c(=O)n(CCC)c2c1Br

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.64
PDE6C P51160 2/20 0.59
PDE6D O43924 1/20 0.59
PDE6A P16499 1/20 0.59
PDE6G P18545 1/20 0.59
PDE6B P35913 1/20 0.59
PDE6H Q13956 1/20 0.59
PDE11A Q9HCR9 1/20 0.55
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55

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
SCHEMBL6313114 0.97 PDE5A (0.60) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL6312725 0.94 PDE5A (0.71) PDE5APDE3BPDE3A
SCHEMBL6306242 0.94 PDE5A (0.65) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL6304753 0.92 PDE5A (0.55) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL6305495 0.92 PDE5A (0.59) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL6309324 0.92 PDE5A (0.66) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL6306537 0.91 PDE5A (0.68) PDE5APDE3BPDE3A
SCHEMBL6306565 0.90 PDE5A (0.61) PDE5APDE6CPDE11APDE3BPDE3A
SCHEMBL6311832 0.90 PDE5A (0.60) PDE5APDE6CPDE6DPDE6APDE6G
SCHEMBL6309100 0.88 PDE5A (0.63) PDE5APDE6CPDE6DPDE6APDE6G

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 8 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 claimed
EP-1286997-B1 6-PHENYLPYRROLOPYRIMIDINEDIONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-08-18 EP claimed
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 claimed
EP-1286997-A1 6-PHENYLPYRROLOPYRIMIDINEDIONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2003-03-05 EP claimed
WO-2001094350-A1 6-PHENYLPYRROLOPYRIMIDINEDIONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2001-12-13 WO claimed
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

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 1/4885PDE6C 34/4885PDE6D 13/4885

“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.