SCHEMBL6312592

SCHEMBL6312592

CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCOCC4)ccc3OCC)c(Br)c21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.58
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 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
SCHEMBL6305338 0.96 PDE5A (0.57) PDE5ACA12CA9TSHR
SCHEMBL6306616 0.95 PDE5A (0.58) PDE5ATSHRPOLBNPSR1CYP3A4
SCHEMBL6304646 0.91 PDE5A (0.63) PDE5ACA12CA9TSHR
SCHEMBL6313621 0.88 PDE5A (0.56) PDE5ACA12CA9POLB
SCHEMBL6307577 0.87 PDE5A (0.55) PDE5ACA12CA9TSHR
SCHEMBL6312475 0.85 PDE5A (0.60) PDE5ACA12CA9
SCHEMBL6313595 0.85 PDE5A (0.56) PDE5ACA12CA9TSHRTDP1
SCHEMBL5260498 0.84 PDE5A (0.52) PDE5ACA12CA9TSHRPOLB
SCHEMBL7196124 0.83 PDE5A (0.55) PDE5A
SCHEMBL6308477 0.82 PDE5A (0.56) 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 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 1/4885CA12 4166/4885CA9 1991/4885

“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.