SCHEMBL4349707

SCHEMBL4349707

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CC1CC1(C(N)=O)C(=O)NCc1ccc(C)c(-c2cccc(CN3CCN(C)CC3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.40
ENPP2 Q13822 3/20 0.34
MAPK1 P28482 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
CHRM3 P20309 1/20 0.33
MAPK14 Q16539 1/20 0.33
DDR2 Q16832 1/20 0.33

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
SCHEMBL3428144 0.94 PDE4B (0.40) PDE4BCHRM3
SCHEMBL4346115 0.94 CHRM3 (0.40) PDE4BENPP2MAPK1PIK3CAMTOR
SCHEMBL4354620 0.93 PDE4B (0.41) PDE4BMAPK1PIK3CA
SCHEMBL4351279 0.91 CHRM3 (0.42) PDE4BCHRM3
SCHEMBL4349698 0.91 CHRM3 (0.42) PDE4BCHRM3
SCHEMBL13750935 0.89 PDE4B (0.43) PDE4BENPP2MAPK1PIK3CAMTOR
SCHEMBL3426907 0.89 PDE4B (0.41) PDE4BMAPK1PIK3CACHRM3
SCHEMBL4350771 0.89 PDE4B (0.38) PDE4BMAPK1CHRM3
SCHEMBL4348675 0.89 PDE4B (0.41) PDE4BMAPK1
SCHEMBL4349726 0.88 PDE4B (0.43) PDE4BMAPK1

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-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US claimed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US claimed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090203677-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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A PDE4B 2/4885ENPP2 200/4885MAPK1 1268/4885

“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.