SCHEMBL4093692

SCHEMBL4093692

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(Cl)c(-c3cccc(CN4CCN(CC)CC4)c3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.46
PIK3CD O00329 1/20 0.37
MAPK1 P28482 1/20 0.37
RPS6KA1 Q15418 1/20 0.37
CHRM3 P20309 2/20 0.37
ENPP2 Q13822 2/20 0.35
NR3C1 P04150 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL4092315 0.97 PDE4B (0.46) PDE4BPIK3CDMAPK1RPS6KA1CHRM3
SCHEMBL4092620 0.96 PDE4B (0.45) PDE4BPIK3CDMAPK1RPS6KA1CHRM3
SCHEMBL4087869 0.96 PDE4B (0.46) PDE4BPIK3CDMAPK1RPS6KA1CHRM3
SCHEMBL4103294 0.95 PDE4B (0.45) PDE4BCHRM3
SCHEMBL4087785 0.94 PDE4B (0.44) PDE4BPIK3CDMAPK1RPS6KA1CHRM3
SCHEMBL4099311 0.94 PDE4B (0.47) PDE4BPIK3CDMAPK1CHRM3ENPP2
SCHEMBL4356004 0.94 PDE4B (0.45) PDE4BPIK3CDMAPK1CHRM3ENPP2
SCHEMBL4351882 0.94 PDE4B (0.45) PDE4BPIK3CDMAPK1CHRM3ENPP2
SCHEMBL4095075 0.93 PDE4B (0.46) PDE4BCHRM3
SCHEMBL4087909 0.93 PDE4B (0.43) 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-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 3/4885PIK3CD 1820/4885MAPK1 2047/4885

“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.