SCHEMBL6841864

SCHEMBL6841864

COc1ccc(C2=NN(Cc3cccc(NC(=O)OCCCN4CCOCC4)c3)C(=O)SC2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.74
PDE4D Q08499 6/20 0.74
PDE4A P27815 2/20 0.74
PDE4B Q07343 2/20 0.74
PDE4C Q08493 2/20 0.74
PDE3B Q13370 2/20 0.74
PDE3A Q14432 2/20 0.74
TSHR P16473 1/20 0.44
JAK3 P52333 3/20 0.42
BTK Q06187 3/20 0.42
NPC1 O15118 1/20 0.42
EPHX2 P34913 1/20 0.41
EGFR P00533 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL6844053 0.96 PDE4D (0.72) METPDE4DPDE4APDE4BPDE4C
SCHEMBL6844077 0.93 MET (0.77) METPDE4DPDE4APDE4BPDE4C
SCHEMBL6842253 0.92 MET (0.75) METPDE4DPDE4APDE4BPDE4C
SCHEMBL6844136 0.91 MET (0.74) METPDE4DPDE4APDE4BPDE4C
SCHEMBL6841728 0.89 MET (0.75) METPDE4DPDE4APDE4BPDE4C
SCHEMBL12513343 0.88 MET (0.72) METPDE4DPDE4APDE4BPDE4C
SCHEMBL6842260 0.87 PDE4B (0.73) METPDE4DPDE4APDE4BPDE4C
SCHEMBL6841791 0.87 PDE4D (0.60) METPDE4DPDE4APDE4BPDE4C
SCHEMBL6657249 0.87 PDE4D (0.62) METPDE4DPDE4APDE4BPDE4C
SCHEMBL6837229 0.87 PDE4D (0.59) METPDE4DPDE4APDE4BPDE4C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B MET 4676/4885PDE4D 12/4885PDE4A 1/4885

“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.