SCHEMBL6312960

SCHEMBL6312960

CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3cc(S(=O)(=O)NCCN4CCOCC4)ccc3OCC)cc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.55
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ADORA2B P29275 3/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA1 P30542 2/20 0.43
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL6313595 0.95 PDE5A (0.56) PDE5ACA12CA9TSHRADORA2B
SCHEMBL6312474 0.95 PDE5A (0.58) PDE5ACA12CA9ALDH1A1MAPK1
SCHEMBL6312292 0.92 PDE5A (0.54) PDE5AMAPK1ADORA2BADORA3ADORA1
SCHEMBL6312534 0.90 PDE5A (0.53) PDE5ATSHRADORA2BADORA3ADORA1
SCHEMBL6304667 0.86 PDE5A (0.61) PDE5ACA12CA9ADORA2BADORA3
SCHEMBL6307577 0.84 PDE5A (0.55) PDE5ACA12CA9ALDH1A1MAPK1
SCHEMBL6305338 0.84 PDE5A (0.57) PDE5ACA12CA9ALDH1A1MAPK1
SCHEMBL5829879 0.82 PDE5A (0.53) PDE5ACA12CA9ALDH1A1MAPK1
SCHEMBL6314197 0.80 PDE5A (0.54) PDE5AADORA2BADORA3ADORA1PDE3B
SCHEMBL6312592 0.80 PDE5A (0.58) PDE5ACA12CA9TSHR

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 2 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
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 1/4885CA12 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.