SCHEMBL6841795

SCHEMBL6841795

COc1ccc(C2=NN(Cc3cccc(NC(=O)c4ncccn4)c3)C(=O)OC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.49
PDE4D Q08499 5/20 0.49
PDE4A P27815 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
MET P08581 1/20 0.49
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
ACKR3 P25106 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8521322 0.92 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6657725 0.92 SMN1; SMN2 (0.52) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6844123 0.92 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6683275 0.89 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6837280 0.89 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6686405 0.89 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6657264 0.88 TSHR (0.51) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL146176 0.88 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6653049 0.87 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL6842638 0.86 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CPDE3B

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-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 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 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.