SCHEMBL6506516

SCHEMBL6506516

O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.81
PDE6D O43924 4/20 0.66
PDE6A P16499 4/20 0.66
PDE6G P18545 4/20 0.66
PDE6B P35913 4/20 0.66
PDE6C P51160 4/20 0.66
PDE6H Q13956 4/20 0.66
PDE11A Q9HCR9 3/20 0.66
ACHE P22303 4/20 0.65
NR1I2 O75469 1/20 0.65
PDE4A P27815 1/20 0.65
MAPK1 P28482 1/20 0.65
SLC6A4 P31645 1/20 0.65
PDE4B Q07343 1/20 0.65
PDE4C Q08493 1/20 0.65
PDE4D Q08499 1/20 0.65
KCNH2 Q12809 1/20 0.65
NR2E1 Q9Y466 1/20 0.65
MEN1 O00255 1/20 0.64
POLB P06746 1/20 0.64

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
SCHEMBL7689505 0.90 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7442714 0.90 PDE5A (0.91) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7689509 0.90 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7449046 0.90 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6503330 0.88 PDE5A (0.85) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6499296 0.87 PDE5A (0.73) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6504928 0.86 PDE5A (0.82) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6505507 0.85 PDE5A (0.77) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2851411 0.85 PDE5A (0.88) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6783325 0.85 PDE5A (0.88) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911542-B2 Pyrazino[1′,2′:1,6]pyrido[3,4b]indole derivatives LILLY ICOS LLC. (US) 2005-06-28 US claimed
US-20030225094-A1 Chemical compounds ICOS CORPORATION 2003-12-04 US claimed

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-20030225094-A1 Chemical compounds ABCG2, SDHA, CYP11B1 PDE5A 2160/4885PDE6D 1716/4885PDE6A 2779/4885

“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.