SCHEMBL6841704

SCHEMBL6841704

CCOc1cc(C2=NN(Cc3ccc(NC(=O)CN4CCN(C)CC4)cc3)C(=O)SC2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.48
MET P08581 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
ALDH1A1 P00352 7/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MGLL Q99685 1/20 0.42
LMNA P02545 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
INSR P06213 2/20 0.41
ALK Q9UM73 2/20 0.41
BTK Q06187 1/20 0.41
ESR1 P03372 2/20 0.41
PDGFRB P09619 2/20 0.41
KDR P35968 2/20 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
SCHEMBL6658002 0.94 PDE4D (0.51) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6655721 0.94 PDE4D (0.49) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6659413 0.93 PDE4D (0.49) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6657837 0.92 PDE4D (0.48) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6660506 0.92 PDE4D (0.48) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6660733 0.92 PDE4D (0.51) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6660493 0.91 PDE4D (0.47) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL7802920 0.89 PDE4B (0.53) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6655403 0.88 PDE4D (0.55) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL6657923 0.88 PDE4B (0.52) PDE4DMETPDE4APDE4BPDE4C

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