SCHEMBL1363514

SCHEMBL1363514

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2cc(OC)cc(-c3cccc(CN4CCCN(C(=O)OC(C)(C)C)CC4)c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.41
CHRM3 P20309 8/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
ADORA2A P29274 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 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
SCHEMBL1362398 0.93 PDE4B (0.46) PDE4BCHRM3ADORA2A
SCHEMBL1362849 0.91 PDE4B (0.41) PDE4BCHRM3JAK1
SCHEMBL1363471 0.91 PDE4B (0.46) PDE4BCHRM3JAK2JAK1TYK2
SCHEMBL1362509 0.90 PDE4B (0.47) PDE4BCHRM3ADORA2A
SCHEMBL1362654 0.89 CHRM3 (0.47) PDE4BCHRM3
SCHEMBL1363452 0.89 CHRM3 (0.49) PDE4BCHRM3
SCHEMBL4191211 0.86 PDE4B (0.44) PDE4BCHRM3JAK1
SCHEMBL13761013 0.86 PDE4B (0.45) PDE4BCHRM3
SCHEMBL1363762 0.86 PDE4B (0.45) PDE4BCHRM3
SCHEMBL1362576 0.86 CHRM3 (0.45) 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 2 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-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 1/4885CHRM3 5/4885JAK2 2827/4885

“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.