SCHEMBL20049985

SCHEMBL20049985

CCOCc1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(I)cc1)C2=O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.66
PDE4B Q07343 6/20 0.66
PDE4C Q08493 6/20 0.66
PDE4D Q08499 6/20 0.66
F10 P00742 14/20 0.53
F2 P00734 4/20 0.53
SLC29A1 Q99808 1/20 0.50

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
SCHEMBL14240856 0.91 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL15490608 0.90 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL1999802 0.82 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL1995178 0.82 F10 (0.62) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL7400362 0.81 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL8025245 0.81 F10 (0.65) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL5792812 0.80 F10 (0.64) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL7374330 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL14240837 0.79 F10 (0.66) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL1999776 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-20180099963-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF UNICHEM LAB LTD (IN) 2018-04-12 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-20180099963-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF HAX1, CYP4X1, HTRA1 PDE4A 445/4885PDE4B 747/4885PDE4C 444/4885

“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.