SCHEMBL20100170

SCHEMBL20100170

CCc1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(/N=N/c3ccc(N4CCc5c(C)nn(-c6ccc(C)cc6)c5C4=O)cc3)cc1)C2=O

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.69
PDE4B Q07343 10/20 0.69
PDE4C Q08493 10/20 0.69
PDE4D Q08499 10/20 0.69
F10 P00742 10/20 0.49
F2 P00734 3/20 0.47

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
SCHEMBL20100171 0.89 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL20100168 0.88 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL20100165 0.83 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL7400362 0.83 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL15490608 0.82 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL7374330 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL7403997 0.79 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL15490610 0.79 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL18040316 0.79 F10 (0.61) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL18040318 0.79 F10 (0.61) PDE4APDE4BPDE4CPDE4DF10

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-20180118737-A1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2018-05-03 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-20180118737-A1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM F2, FGB, F8 PDE4A 1016/4885PDE4B 826/4885PDE4C 1123/4885

“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.