SCHEMBL4355934

SCHEMBL4355934

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)CCCC(=O)NCc1ccc(F)c(-c2cccc(CNc3ccncn3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.44
MAPK1 P28482 4/20 0.34
NTRK1 P04629 1/20 0.34
PDE5A O76074 1/20 0.34
KCNH2 Q12809 1/20 0.33
ATM Q13315 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL1362638 0.93 PDE4B (0.46) PDE4BPDE5AKCNH2CHRM3
SCHEMBL4349904 0.93 PDE4B (0.46) PDE4BMAPK1CHRM3
SCHEMBL4349912 0.88 CHRM3 (0.45) PDE4BCHRM3
SCHEMBL4364357 0.87 PDE4B (0.44) PDE4BCHRM3
SCHEMBL4357974 0.87 PDE4B (0.43) PDE4BMAPK1KCNH2CHRM3
SCHEMBL4348654 0.87 PDE4B (0.43) PDE4BCHRM3
SCHEMBL3428586 0.87 PDE4B (0.44) PDE4BMAPK1CHRM3
SCHEMBL4347468 0.86 PDE4B (0.43) PDE4BMAPK1NTRK1CHRM3
SCHEMBL4347608 0.86 PDE4B (0.43) PDE4BCHRM3
SCHEMBL4355106 0.86 PDE4B (0.42) PDE4BCHRM3

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 claimed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US claimed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US 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 2/4885MAPK1 1268/4885NTRK1 3992/4885

“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.