SCHEMBL6312898

SCHEMBL6312898

CCCOc1ccc(S(=O)(=O)NCCc2ccccn2)cc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2CCC

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 9/20 0.66
ADORA3 P0DMS8 6/20 0.66
ADORA1 P30542 6/20 0.66
PDE5A O76074 8/20 0.43
ADORA2A P29274 3/20 0.41
PARG Q86W56 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
SCHEMBL4050752 0.86 ADORA2B (0.88) ADORA2BADORA3ADORA1ADORA2A
SCHEMBL6312474 0.81 PDE5A (0.58) ADORA2BADORA3ADORA1PDE5A
SCHEMBL4050202 0.81 ADORA2B (0.87) ADORA2BADORA3ADORA1ADORA2APARG
SCHEMBL4053165 0.81 ADORA2B (0.89) ADORA2BADORA3ADORA1ADORA2A
SCHEMBL6304647 0.80 ADORA3 (0.55) ADORA2BADORA3ADORA1PDE5A
SCHEMBL6312534 0.80 PDE5A (0.53) ADORA2BADORA3ADORA1PDE5A
SCHEMBL6312158 0.80 PDE5A (0.50) ADORA2BADORA3ADORA1PDE5AADORA2A
SCHEMBL4054367 0.80 ADORA2B (1.00) ADORA2BADORA3ADORA1ADORA2A
SCHEMBL6306247 0.80 ADORA3 (0.55) ADORA2BADORA3ADORA1PDE5A
SCHEMBL6313019 0.79 PDE5A (0.50) ADORA2BPDE5AADORA2A

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 ADORA2B 641/4885ADORA3 605/4885ADORA1 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.