SCHEMBL6656480

SCHEMBL6656480

CCOc1cc(C2=NN(Cc3ccc(NC(=O)CN(C(C)C)C(C)C)cc3)C(=O)SC2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.51
PDE4D Q08499 4/20 0.51
PDE4A P27815 3/20 0.51
PDE4C Q08493 3/20 0.51
MET P08581 3/20 0.51
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 0.51
PSMB5 P28074 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6657671 0.94 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL6659488 0.94 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL6658168 0.92 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL6655759 0.91 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL6662463 0.91 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL7802920 0.89 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL6655238 0.88 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6842362 0.88 PDE4A (0.47) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL6837316 0.88 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL7800603 0.88 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CMET

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 3 patents. 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
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO 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 PDE4B 4/4885PDE4D 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.