SCHEMBL6407258

SCHEMBL6407258

c1ccc(CN2CCc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.63
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56
KIF11 P52732 2/20 0.55
PDE6D O43924 1/20 0.55
PDE6A P16499 1/20 0.55
PDE6G P18545 1/20 0.55
PDE6B P35913 1/20 0.55
PDE6C P51160 1/20 0.55
PDE6H Q13956 1/20 0.55
PDE11A Q9HCR9 1/20 0.55

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
SCHEMBL6074444 1.00 PDE5A (0.63) PDE5AMAPTMEN1KMT2AL3MBTL1
SCHEMBL6407252 0.92 PDE5A (0.60) PDE5AMAPTMEN1KMT2AL3MBTL1
SCHEMBL8402841 0.91 KIF11 (0.69) PDE5AMAPTMEN1KMT2AL3MBTL1
SCHEMBL5527250 0.86 MAPT (0.75) PDE5AMAPTMEN1KMT2AL3MBTL1
SCHEMBL2508073 0.86 MAPT (0.75) PDE5AMAPTMEN1KMT2AL3MBTL1
SCHEMBL6408971 0.84 PDE5A (0.73) PDE5A
SCHEMBL5023679 0.84 PDE5A (0.73) PDE5A
SCHEMBL30539389 0.82 PDE5A (0.62) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7492514 0.82 PDE5A (0.55) PDE5A
SCHEMBL9928813 0.81 PDE5A (0.73) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2005-05-26 US disclosed
US-6818646-B2 1,2,3,4-TETRAHYDRO-2-(5-(2-PYRIDINYL)-PYRIMIDIN-2-YL)-3-(2,3 -DIHYDROBENZOFURANYL)-9H-PYRROLO-(3,4-B)QUINOLIN-9-ONE; MALE ERECTILE DYSFUNCTION; SEXUAL DISORDERS SUI ZHIHUA (US) 2004-11-16 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-20020072055-A1 Iterative and regenerative DNA sequencing method THE UNIVERSITY OF IOWA RESEARCH FOUNDATION 2002-06-13 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 1/4885MAPT 3888/4885MEN1 3847/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B PDE5A 1/4885MAPT 3924/4885MEN1 3647/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B PDE5A 1/4885MAPT 3924/4885MEN1 3647/4885

“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.