SCHEMBL20100168

SCHEMBL20100168

CCOC(=O)c1nn(-c2ccc(C)cc2)c2c1CCN(c1ccc(/N=N/c3ccc(N4CCc5c(CC)nn(-c6ccc(OC)cc6)c5C4=O)cc3)cc1)C2=O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.63
PDE4B Q07343 6/20 0.63
PDE4C Q08493 6/20 0.63
PDE4D Q08499 6/20 0.63
F10 P00742 13/20 0.55
F2 P00734 4/20 0.55
SLC29A1 Q99808 1/20 0.51
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCNA1 P78396 1/20 0.49

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
SCHEMBL18040318 0.93 F10 (0.61) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL18058755 0.93 F10 (0.61) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL18040316 0.93 F10 (0.61) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL20100169 0.90 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL16948138 0.90 F10 (0.64) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL20100170 0.88 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL2000886 0.84 F10 (0.63) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL5307046 0.84 F10 (0.67) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL15731769 0.84 F10 (0.67) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL18410362 0.83 F10 (0.60) 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.