SCHEMBL6407096

SCHEMBL6407096

O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)OCO3)NC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.58
KDM4E B2RXH2 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
PDE6D O43924 1/20 0.51
NR1I2 O75469 1/20 0.51
PDE6A P16499 1/20 0.51
PDE6G P18545 1/20 0.51
ACHE P22303 1/20 0.51
PDE4A P27815 1/20 0.51
MAPK1 P28482 1/20 0.51
SLC6A4 P31645 1/20 0.51
PDE6B P35913 1/20 0.51
PDE6C P51160 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51
PDE6H Q13956 1/20 0.51
PDE11A Q9HCR9 1/20 0.51

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
SCHEMBL6407129 1.00 PDE5A (0.58) PDE5AKDM4EALOX15HSD17B10PDE6D
SCHEMBL2509857 0.83 PDE5A (0.60) PDE5A
SCHEMBL2502972 0.83 PDE5A (0.60) PDE5A
Hydrochloric Acid SCHEMBL6407788 0.82 PDE5A (0.59) PDE5A
Hydrochloric Acid SCHEMBL5537994 0.82 PDE5A (0.59) PDE5A
SCHEMBL5740140 0.81 HTR7 (0.65) KDM4EALOX15HSD17B10
SCHEMBL7492089 0.81 HTR7 (0.65) KDM4EALOX15HSD17B10
SCHEMBL5790730 0.81 HTR7 (0.65) KDM4EALOX15HSD17B10
SCHEMBL6407705 0.77 MEN1 (0.58) PDE5A
SCHEMBL18715185 0.76 KDM4E (0.55) PDE5AKDM4EALOX15HSD17B10PDE6D

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-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
EP-1296981-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-02 EP disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US disclosed
WO-2001087882-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 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 (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 1/4885KDM4E 1469/4885ALOX15 1960/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B PDE5A 1/4885KDM4E 1486/4885ALOX15 2043/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B PDE5A 1/4885KDM4E 1486/4885ALOX15 2043/4885

“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.