SCHEMBL1363083

SCHEMBL1363083

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.45
PRKD1 Q15139 1/20 0.35
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
MAPK1 P28482 2/20 0.33
CHRM3 P20309 1/20 0.33
PDE4D Q08499 2/20 0.33
PDE3B Q13370 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE3A Q14432 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
SCHEMBL1362355 0.92 PDE4B (0.47) PDE4BMAPK1CHRM3PDE4D
SCHEMBL1362090 0.91 PDE4B (0.46) PDE4BCHRM3
SCHEMBL1363482 0.91 PDE4B (0.46) PDE4BMAPK1CHRM3
SCHEMBL1365168 0.91 CHRM3 (0.40) PDE4BCHRM3
SCHEMBL1363076 0.90 PDE4B (0.45) PDE4BCHRM3
SCHEMBL13761214 0.89 PDE4B (0.44) PDE4BCHRM3
SCHEMBL1362984 0.88 PDE4B (0.46) PDE4BPDE4DPDE3BPDE7APDE3A
SCHEMBL1363450 0.88 PDE4B (0.44) PDE4BCHRM3
SCHEMBL1365575 0.88 CHRM3 (0.45) PDE4BCHRM3
SCHEMBL1363291 0.87 PDE4B (0.49) PDE4BPRKD1MAPK1PDE4D

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 7 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 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 PDE4B 1/4885PRKD1 2148/4885JAK1 1427/4885

“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.