SCHEMBL5409568

SCHEMBL5409568

COc1cccc(Nc2c(C(N)=O)c(-c3cccc(OC)c3)nc3ccc(C(N)=O)cc23)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.54
PIK3CA P42336 1/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
ABCG2 Q9UNQ0 2/20 0.47
ABCB1 P08183 1/20 0.47
PARP1 P09874 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
TERT O14746 1/20 0.44
PDE5A O76074 1/20 0.44
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL5404702 0.91 PDE4B (0.51) PDE4BPIK3CAPLGPLAUPLAT
SCHEMBL5405242 0.88 NPC1 (0.48) PDE4BMEN1KMT2ATP53MAPT
SCHEMBL5404071 0.88 PDE4B (0.49) PDE4BPIK3CAMEN1KMT2AMAPT
SCHEMBL5401535 0.88 PDE4B (0.48) PDE4BPIK3CAPLGPLAUPLAT
SCHEMBL5388728 0.86 PDE4B (0.47) PDE4BPIK3CATERT
SCHEMBL5404688 0.78 PDE4B (0.47) PDE4BPIK3CAMAPTTERT
SCHEMBL5398992 0.77 PDE4B (0.50) PDE4BTERT
SCHEMBL5409576 0.74 PDE4B (0.72) PDE4BTP53MAPT
SCHEMBL5457658 0.74 PDE4B (0.80) PDE4B
SCHEMBL5409631 0.74 PDE4B (0.86) PDE4BTP53MAPT

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-20070191426-A1 Derivatives of 3-aminocarbonylquinoline, pharmaceutical compositions containing them and processes and intermediates for their preparation GLAXO GROUP LIMITED (GB) 2007-08-16 US claimed
JP-2007506717-A 2007-03-22 JP claimed
EP-1673345-A1 DERIVATIVES OF 3-AMINOCARBONYLQUINOLINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION GLAXO GROUP LIMITED (GB) 2006-06-28 EP claimed
WO-2005030725-A1 DERIVATIVES OF 3-AMINOCARBONYLQUINOLINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION GLAXO GROUP LIMITED (GB) 2005-04-07 WO claimed
US-20070191426-A1 Derivatives of 3-aminocarbonylquinoline, pharmaceutical compositions containing them and processes and intermediates for their preparation GLAXO GROUP LIMITED (GB) 2007-08-16 US disclosed
EP-1673345-A1 DERIVATIVES OF 3-AMINOCARBONYLQUINOLINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION GLAXO GROUP LIMITED (GB) 2006-06-28 EP disclosed
WO-2005030725-A1 DERIVATIVES OF 3-AMINOCARBONYLQUINOLINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION GLAXO GROUP LIMITED (GB) 2005-04-07 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 (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-20070191426-A1 Derivatives of 3-aminocarbonylquinoline, pharmaceutical compositions containing them and processes and intermediates for their preparation PDE4B, PDE4A, PDE3B PDE4B 1/4885PIK3CA 421/4885PLG 570/4885

“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.