SCHEMBL5233249

SCHEMBL5233249

O=C1C2c3c([nH]c4ccccc4c3=O)C(c3ccc4c(c3)OCO4)N2C(=O)CN1Cc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.57
PDE6D O43924 4/20 0.53
PDE6A P16499 4/20 0.53
PDE6G P18545 4/20 0.53
PDE6B P35913 4/20 0.53
PDE6C P51160 4/20 0.53
PDE6H Q13956 4/20 0.53
PDE11A Q9HCR9 3/20 0.53
ACHE P22303 4/20 0.51
NR1I2 O75469 1/20 0.51
PDE4A P27815 1/20 0.51
MAPK1 P28482 1/20 0.51
SLC6A4 P31645 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
NR2E1 Q9Y466 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
SCHEMBL14463492 0.88 PDE5A (0.72) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5230819 0.88 PDE5A (0.72) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7710648 0.85 PDE5A (0.79) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7448232 0.85 PDE5A (0.79) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7710652 0.85 PDE5A (0.79) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL14463498 0.84 PDE5A (0.53) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL14464011 0.82 PDE5A (0.70) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL14464010 0.82 PDE5A (0.70) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL14464006 0.82 PDE5A (0.70) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5231420 0.82 PDE5A (0.70) PDE5APDE6DPDE6APDE6GPDE6B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448562-B1 SUBSTITUTED TETRACYCLIC PYRROLOQUINOLONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO MCNEIL PHARMACEUTICAL CO (US) 2007-07-25 EP disclosed
US-6686349-B2 ADMINISTERING TO A PATIENT FOR THE TREATMENT OF SEXUAL DYSFUNCTION AN EFFECTIVE AMOUNT OF SUBSTITUTED TETRACYCLIC PYRROLOQUINOLONE DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-02-03 US disclosed
US-20030144268-A1 Substituted tetracyclic pyrroloquinolone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-31 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-20030144268-A1 Substituted tetracyclic pyrroloquinolone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B PDE5A 1/4885PDE6D 24/4885PDE6A 12/4885

“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.