SCHEMBL5404075

SCHEMBL5404075

COc1cccc(Nc2c(C(=O)Nc3ccc4ncsc4c3)cnc3ccc(C(N)=O)cc23)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.61
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 2/20 0.47
MAPT P10636 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
SCHEMBL5409576 0.91 PDE4B (0.72) PDE4BTP53MAPT
SCHEMBL5404705 0.86 PDE4B (0.65) PDE4BTP53MAPT
SCHEMBL5405245 0.83 PDE4B (0.60) PDE4BMEN1NPC1RAB9AKMT2A
SCHEMBL5401539 0.83 PDE4B (0.60) PDE4BTP53MAPT
SCHEMBL5388726 0.83 PDE4B (0.59) PDE4BNPC1RAB9ATP53
SCHEMBL5468878 0.80 PDE4B (0.75) PDE4BTP53MAPT
SCHEMBL5409631 0.79 PDE4B (0.86) PDE4BTP53MAPT
SCHEMBL5464027 0.79 PDE4B (0.70) PDE4BMEN1KMT2A
SCHEMBL5404071 0.78 PDE4B (0.49) PDE4BMEN1NPC1RAB9AKMT2A
SCHEMBL5457658 0.78 PDE4B (0.80) PDE4B

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
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

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 1/4885MEN1 4369/4885NPC1 3028/4885

“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.