SCHEMBL3429211

SCHEMBL3429211

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cccc(-c3cccc(C=O)c3)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.52
MAPK1 P28482 2/20 0.39
NR3C1 P04150 1/20 0.35
MMP13 P45452 1/20 0.35
RPS6KA1 Q15418 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
SCHEMBL3426832 0.93 PDE4B (0.51) PDE4BMAPK1
SCHEMBL3427788 0.93 PDE4B (0.50) PDE4BMAPK1
SCHEMBL3430247 0.93 PDE4B (0.47) PDE4BMAPK1NR3C1RPS6KA1
SCHEMBL4088151 0.92 PDE4B (0.46) PDE4BMAPK1MMP13RPS6KA1
SCHEMBL4093285 0.92 PDE4B (0.46) PDE4BMAPK1NR3C1RPS6KA1
SCHEMBL1363832 0.92 PDE4B (0.50) PDE4BMAPK1NR3C1
SCHEMBL4100526 0.91 PDE4B (0.45) PDE4BMMP13
SCHEMBL1362517 0.88 PDE4B (0.47) PDE4BMAPK1NR3C1
SCHEMBL4098533 0.88 PDE4B (0.50) PDE4BMAPK1NR3C1MMP13
SCHEMBL4098467 0.88 PDE4B (0.50) PDE4BMAPK1NR3C1MMP13

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-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
EP-2259681-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-12-15 EP disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO 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 2047/4885NR3C1 416/4885

“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.