SCHEMBL1363474

SCHEMBL1363474

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(C)c(-c3cccc(CN4CCCN(C)CC4)c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.45
PDE4B Q07343 5/20 0.44
MAPK14 Q16539 1/20 0.39
EZH2 Q15910 1/20 0.38
DDR2 Q16832 1/20 0.37
SLC2A1 P11166 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL1362771 0.98 PDE4B (0.46) CHRM3PDE4BMAPK14DDR2CHRM2
SCHEMBL1365381 0.97 PDE4B (0.43) CHRM3PDE4BMAPK14EZH2DDR2
SCHEMBL4088336 0.94 PDE4B (0.44) CHRM3PDE4BMAPK14EZH2PIK3CA
SCHEMBL1363244 0.94 PDE4B (0.45) CHRM3PDE4BMAPK14EZH2DDR2
SCHEMBL1364533 0.94 CHRM3 (0.45) CHRM3PDE4BEZH2SLC2A1CHRM2
SCHEMBL4360504 0.94 PDE4B (0.43) CHRM3PDE4BMAPK14EZH2PIK3CA
SCHEMBL4355042 0.94 PDE4B (0.43) CHRM3PDE4BMAPK14EZH2PIK3CA
SCHEMBL1362702 0.93 CHRM3 (0.44) CHRM3PDE4BSLC2A1
SCHEMBL1364721 0.93 CHRM3 (0.43) CHRM3PDE4BEZH2SLC2A1CHRM2
SCHEMBL4088630 0.92 PDE4B (0.46) CHRM3PDE4BMAPK14EZH2PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US claimed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US claimed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 US disclosed
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 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-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 CHRM3 5/4885PDE4B 1/4885MAPK14 2014/4885

“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.