SCHEMBL6841834

SCHEMBL6841834

COc1ccc(C2=NN(Cc3ccc(NC(=O)OC4CCN(C)CC4)cc3)C(=O)SC2)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.48
PDE4B Q07343 11/20 0.48
PDE4C Q08493 10/20 0.48
PDE4D Q08499 10/20 0.48
MET P08581 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
JAK2 O60674 1/20 0.43
ABL1 P00519 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43
NPM1 P06748 1/20 0.43
CSF1R P07333 1/20 0.43
LYN P07948 1/20 0.43
RET P07949 1/20 0.43
ROS1 P08922 1/20 0.43
PDGFRB P09619 1/20 0.43
FGR P09769 1/20 0.43
KIT P10721 1/20 0.43
BCR P11274 1/20 0.43

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
SCHEMBL6837410 0.94 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL7801784 0.91 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6841906 0.90 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6837404 0.90 PDE4B (0.48) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6837260 0.90 PDE4B (0.48) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL6841908 0.89 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL27592902 0.89 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL141309 0.88 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL7802859 0.88 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL7798476 0.88 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMET

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
CN-1564687-A Use of phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2005-01-12 CN disclosed
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 PDE4A 1/4885PDE4B 4/4885PDE4C 5/4885

“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.