SCHEMBL4354620

SCHEMBL4354620

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CC1CC1(C(N)=O)C(=O)NCc1ccc(C)c(-c2cccc(CC3CCN(C)CC3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.41
MAPK1 P28482 2/20 0.34
RET P07949 1/20 0.31
ROS1 P08922 1/20 0.31
FLT3 P36888 1/20 0.31
EML4 Q9HC35 1/20 0.31
ALK Q9UM73 1/20 0.31
PDE7A Q13946 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL4349726 0.95 PDE4B (0.43) PDE4BMAPK1EML4ALKPDE7A
SCHEMBL4349750 0.94 PDE4B (0.40) PDE4BMAPK1RETROS1FLT3
SCHEMBL3426907 0.94 PDE4B (0.41) PDE4BMAPK1PDE7APIK3CA
SCHEMBL4356962 0.93 PDE4B (0.39) PDE4BMAPK1FLT3
SCHEMBL4349707 0.93 PDE4B (0.40) PDE4BMAPK1PIK3CA
SCHEMBL3426899 0.90 PDE4B (0.39) PDE4BMAPK1PDE7A
SCHEMBL8011054 0.90 PDE4B (0.45) PDE4BMAPK1
SCHEMBL4355984 0.90 PDE4B (0.43) PDE4BMAPK1PDE7A
SCHEMBL3428144 0.89 PDE4B (0.40) PDE4B
SCHEMBL4348675 0.89 PDE4B (0.41) PDE4BMAPK1PDE7A

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 2/4885MAPK1 1268/4885RET 2522/4885

“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.