SCHEMBL3421765

SCHEMBL3421765

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CC1CC1(C(N)=O)C(=O)NCc1ccc(F)c(-c2cccc(C=O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.40
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
MAPK1 P28482 3/20 0.32
PDE7A Q13946 1/20 0.32
KCNH2 Q12809 1/20 0.32
ATM Q13315 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL4348675 0.94 PDE4B (0.41) PDE4BMAPK1PDE7A
SCHEMBL3428370 0.89 PDE4B (0.40) PDE4BMAPK1KCNH2CHRM3
SCHEMBL4349750 0.89 PDE4B (0.40) PDE4BJAK1JAK3MAPK1KCNH2
SCHEMBL3428333 0.89 PDE4B (0.45) PDE4BMAPK1CHRM3
SCHEMBL4346115 0.89 CHRM3 (0.40) PDE4BMAPK1KCNH2CHRM3
SCHEMBL4352295 0.89 PDE4B (0.44) PDE4BMAPK1CHRM3
SCHEMBL4349939 0.87 PDE4B (0.45) PDE4BMAPK1CHRM3
SCHEMBL4346765 0.87 PDE4B (0.45) PDE4BMAPK1CHRM3
SCHEMBL4349803 0.86 CHRM3 (0.49) KCNH2CHRM3
SCHEMBL3428586 0.86 PDE4B (0.44) PDE4BMAPK1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
EP-2247184-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-10 EP disclosed
WO-2009100167-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A PDE4B 2/4885JAK1 1452/4885JAK3 1209/4885

“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.