SCHEMBL6076067

SCHEMBL6076067

COc1cc2nc(N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)[nH]c(=O)c2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.64
PDE6D O43924 1/20 0.47
NR1I2 O75469 1/20 0.47
PDE6A P16499 1/20 0.47
PDE6G P18545 1/20 0.47
ACHE P22303 1/20 0.47
PDE4A P27815 1/20 0.47
MAPK1 P28482 1/20 0.47
SLC6A4 P31645 1/20 0.47
PDE6B P35913 1/20 0.47
PDE6C P51160 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
KCNH2 Q12809 1/20 0.47
PDE6H Q13956 1/20 0.47
PDE11A Q9HCR9 1/20 0.47
NR2E1 Q9Y466 1/20 0.47
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL6074541 0.86 PDE5A (0.68) PDE5AABCB1ABCG2
SCHEMBL6074804 0.83 PDE5A (0.75) PDE5A
SCHEMBL5880569 0.80 PDE5A (0.43) PDE5AACHEMAPK1
SCHEMBL6407260 0.78 PDE5A (1.00) PDE5A
SCHEMBL6290660 0.78 PDE5A (1.00) PDE5A
SCHEMBL6409670 0.78 PDE5A (1.00) PDE5A
SCHEMBL2727409 0.76 PDE5A (0.76) PDE5A
SCHEMBL6406398 0.75 PDE5A (1.00) PDE5A
SCHEMBL30539389 0.74 PDE5A (0.62) PDE5APDE6DNR1I2PDE6APDE6G
SCHEMBL6290663 0.74 PDE5A (0.71) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360185-B1 CARBOLINE DERIVATIVES LILLY ICOS LLC (US) 2005-08-24 EP claimed
US-20040122035-A1 Chemical compounds LILLY ICOS LLC 2004-06-24 US claimed
US-7022856-B2 Carboline derivatives LILLY ICOS LLC. (US) 2006-04-04 US disclosed
EP-1360185-B1 CARBOLINE DERIVATIVES LILLY ICOS LLC (US) 2005-08-24 EP disclosed
US-20040122035-A1 Chemical compounds LILLY ICOS LLC 2004-06-24 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 (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-20040122035-A1 Chemical compounds ABCG2, CYP11B1, CYP2F1 PDE5A 2238/4885PDE6D 1560/4885NR1I2 675/4885

“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.