SCHEMBL6308281

SCHEMBL6308281

CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3cc(S(=O)(=O)N4CCCN(C)CC4)ccc3OCC)c(Cl)c21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.65
PDE3B Q13370 3/20 0.57
PDE3A Q14432 3/20 0.57
PDE1A P54750 2/20 0.48
PDE1B Q01064 2/20 0.48
PDE1C Q14123 2/20 0.48
PDE2A O00408 1/20 0.48
ABCC4 O15439 1/20 0.48
ABCC5 O15440 1/20 0.48
PDE6D O43924 1/20 0.48
PDE8A O60658 1/20 0.48
PDE9A O76083 1/20 0.48
ABCB11 O95342 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
PDE6A P16499 1/20 0.48
PDE6G P18545 1/20 0.48
PDE4A P27815 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48

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
SCHEMBL6313061 0.97 PDE5A (0.69) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6306565 0.91 PDE5A (0.61) PDE5APDE3BPDE3APDE6CPDE11A
SCHEMBL6307698 0.91 PDE5A (0.65) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6306537 0.91 PDE5A (0.68) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6312869 0.91 PDE5A (0.61) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6306646 0.90 PDE5A (0.59) PDE5APDE3BPDE3A
SCHEMBL6307295 0.89 PDE5A (0.59) PDE5APDE3BPDE3A
SCHEMBL6305534 0.89 PDE5A (0.62) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6313207 0.88 PDE5A (0.58) PDE5APDE3BPDE3A
SCHEMBL6308467 0.88 PDE5A (0.70) PDE5APDE3BPDE3A

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
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 1/4885PDE3B 4/4885PDE3A 3/4885

“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.