SCHEMBL6313595

SCHEMBL6313595

CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCOCC4)ccc3OCC)cc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.56
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
POLB P06746 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL6312960 0.95 PDE5A (0.55) PDE5ATSHRCA12CA9ADORA3
SCHEMBL6312534 0.95 PDE5A (0.53) PDE5ATSHRPOLBNPSR1CYP3A4
SCHEMBL6312474 0.90 PDE5A (0.58) PDE5ATSHRCA12CA9ADORA3
SCHEMBL6312292 0.88 PDE5A (0.54) PDE5APOLBADORA3ADORA2BADORA1
SCHEMBL6312592 0.85 PDE5A (0.58) PDE5ATSHRTDP1CA12CA9
SCHEMBL6304667 0.84 PDE5A (0.61) PDE5ACA12CA9ADORA3ADORA2B
SCHEMBL6305338 0.80 PDE5A (0.57) PDE5ATSHRCA12CA9
SCHEMBL6307577 0.80 PDE5A (0.55) PDE5ATSHRCA12CA9
SCHEMBL6306616 0.80 PDE5A (0.58) PDE5ATSHRPOLBNPSR1CYP3A4
SCHEMBL6311855 0.80 PDE5A (0.59) PDE5AADORA3ADORA2BADORA1

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 1/4885TSHR 3917/4885TDP1 131/4885

“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.