SCHEMBL6412821

SCHEMBL6412821

COc1ccc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)C3C3CC4=C(C=CCC4)O3)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.56

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
SCHEMBL6635060 1.00 PDE5A (0.56) PDE5A
SCHEMBL6412616 0.86 PDE5A (0.53) PDE5A
SCHEMBL6773422 0.83 PDE5A (0.61) PDE5A
SCHEMBL6635064 0.80 PDE5A (0.56) PDE5A
SCHEMBL6412825 0.80 PDE5A (0.56) PDE5A
SCHEMBL6778793 0.76 PDE5A (0.56) PDE5A
SCHEMBL6778791 0.76 PDE5A (0.56) PDE5A
SCHEMBL6411846 0.73 PDE5A (0.61) PDE5A
SCHEMBL6412773 0.72 PDE5A (1.00) PDE5A
SCHEMBL6777087 0.68 PDE5A (0.57) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2004-03-04 US claimed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US claimed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US claimed
US-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2005-05-26 US disclosed
EP-1296981-B1 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2004-10-06 EP disclosed
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2004-03-04 US disclosed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 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 (3 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-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B PDE5A 1/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B PDE5A 1/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B PDE5A 1/4885

“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.