SCHEMBL4088336

SCHEMBL4088336

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(C)c(-c3cccc(CN4CCCN(C)CC4)c3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.44
CHRM3 P20309 5/20 0.40
EZH2 Q15910 2/20 0.38
MAPK14 Q16539 1/20 0.36
EZH1 Q92800 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL4088630 0.98 PDE4B (0.46) PDE4BCHRM3EZH2MAPK14EZH1
SCHEMBL4088626 0.95 PDE4B (0.46) PDE4BCHRM3EZH2MAPK14
SCHEMBL1363474 0.94 CHRM3 (0.45) PDE4BCHRM3EZH2MAPK14PIK3CA
SCHEMBL4099311 0.94 PDE4B (0.47) PDE4BCHRM3MAPK14
SCHEMBL3429101 0.94 PDE4B (0.48) PDE4BCHRM3EZH2PIK3CAMTOR
SCHEMBL4087785 0.94 PDE4B (0.44) PDE4BCHRM3EZH2PIK3CAMTOR
SCHEMBL4093587 0.94 CHRM3 (0.47) PDE4BCHRM3
SCHEMBL4360504 0.94 PDE4B (0.43) PDE4BCHRM3EZH2MAPK14PIK3CA
SCHEMBL4355042 0.94 PDE4B (0.43) PDE4BCHRM3EZH2MAPK14PIK3CA
SCHEMBL1365381 0.94 PDE4B (0.43) PDE4BCHRM3EZH2MAPK14EZH1

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-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US claimed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US claimed
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-20090203657-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-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B PDE4B 3/4885CHRM3 8/4885EZH2 2902/4885

“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.