SCHEMBL22535971

SCHEMBL22535971

COc1cc2c(CN)c3cc(OC)c(OC)cc3c(CN=[N+]=[N-])c2cc1OC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.33
▸ PDE3B Q13370 2/20 0.33
▸ PDE3A Q14432 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL22823350 0.93 DPP4 (0.30) DPP4
SCHEMBL20503059 0.92 PDE3B (0.37) PDE3BPDE3AKDM4E
SCHEMBL30849870 0.92 PDE3B (0.37) PDE3BPDE3AKDM4E
SCHEMBL22535922 0.80 DPP4 (0.43) DPP4PDE3BPDE3AKDM4EATM
SCHEMBL22823034 0.72 DPP4 (0.38) DPP4PDE3BPDE3AKDM4EATM
SCHEMBL22823351 0.69 DPP4 (0.40) DPP4PDE3BPDE3AKDM4EATM
SCHEMBL23070508 0.68 CA2 (0.55) KDM4EATM
SCHEMBL19231652 0.66 PTGS2 (0.52) KDM4E
SCHEMBL22535920 0.63 PDE3B (0.44) PDE3BPDE3AKDM4E
SCHEMBL29059591 0.63 KAT2B (0.38) KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800747-B2 Macrocyclic compounds ZIYLO LTD (GB) 2020-10-13 — — 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-10800747-B2 Macrocyclic compounds SLC2A4, GALE, MPI DPP4 39/4885PDE3B 3237/4885PDE3A 3568/4885

“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.

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