SCHEMBL4098121

SCHEMBL4098121

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(Cl)c(-c3cccc(CN(C)CCN(C)C)c3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.46
MAPK1 P28482 5/20 0.36
RPS6KA1 Q15418 1/20 0.36
NR3C1 P04150 2/20 0.35
CHRM3 P20309 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
SCHEMBL4098059 0.94 PDE4B (0.46) PDE4BMAPK1NR3C1CHRM3
SCHEMBL4348670 0.94 PDE4B (0.44) PDE4BMAPK1
SCHEMBL4350158 0.94 PDE4B (0.44) PDE4BMAPK1
SCHEMBL4087992 0.93 PDE4B (0.46) PDE4BMAPK1RPS6KA1CHRM3
SCHEMBL1364865 0.93 PDE4B (0.44) PDE4BMAPK1NR3C1CHRM3
SCHEMBL4096862 0.92 PDE4B (0.45) PDE4BMAPK1CHRM3
SCHEMBL12062838 0.91 PDE4B (0.49) PDE4BMAPK1RPS6KA1NR3C1
SCHEMBL4092315 0.90 PDE4B (0.46) PDE4BMAPK1RPS6KA1CHRM3
SCHEMBL4093692 0.90 PDE4B (0.46) PDE4BMAPK1RPS6KA1NR3C1CHRM3
SCHEMBL4098183 0.89 PDE4B (0.46) PDE4BMAPK1RPS6KA1NR3C1

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 3/4885MAPK1 2047/4885RPS6KA1 4217/4885

“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.