SCHEMBL6841568

SCHEMBL6841568

COc1ccc(C2=NN(CCc3ccc(NC(=O)c4c[nH]cn4)cc3)C(=O)SC2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.45
PDE4A P27815 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
MET P08581 1/20 0.45
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABCB1 P08183 4/20 0.40
ABCG2 Q9UNQ0 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
CFTR P13569 4/20 0.39
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL6683886 0.94 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6660265 0.88 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6844037 0.88 SMN1; SMN2 (0.52) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6682532 0.88 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6654591 0.86 ABCG2 (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6842712 0.86 FLT1 (0.41) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6655224 0.86 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6688488 0.86 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6659040 0.85 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7792970 0.85 CYP1A2 (0.55) PDE4BPDE4APDE4CPDE4DPDE3B

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
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP 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 4/4885PDE4A 1/4885PDE4C 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.