SCHEMBL6306247

SCHEMBL6306247

CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3cc(S(=O)(=O)NCCc4ccccn4)ccc3OCC)c(Cl)c21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.55
ADORA2B P29275 4/20 0.55
ADORA1 P30542 4/20 0.55
PDE5A O76074 14/20 0.43
PDE2A O00408 1/20 0.40
PDE9A O76083 1/20 0.40
PDE4A P27815 1/20 0.40
PDE6C P51160 1/20 0.40
PDE1A P54750 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL6304647 0.92 ADORA3 (0.55) ADORA3ADORA2BADORA1PDE5APDE2A
SCHEMBL6304614 0.86 PDE5A (0.46) ADORA2BPDE5APDE2APDE9APDE4A
SCHEMBL6305668 0.83 PDE5A (0.42) ADORA2BPDE5A
SCHEMBL5830513 0.83 ADORA3 (0.46) ADORA3ADORA2BADORA1PDE5A
SCHEMBL6307577 0.82 PDE5A (0.55) PDE5A
SCHEMBL6305254 0.81 PDE5A (0.51) ADORA3ADORA2BADORA1PDE5A
SCHEMBL6312898 0.80 ADORA2B (0.66) ADORA3ADORA2BADORA1PDE5A
SCHEMBL6313061 0.77 PDE5A (0.69) ADORA1PDE5APDE2APDE9APDE4A
SCHEMBL6313621 0.76 PDE5A (0.56) PDE5A
SCHEMBL6306646 0.76 PDE5A (0.59) PDE5A

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 ADORA3 605/4885ADORA2B 641/4885ADORA1 679/4885

“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.