SCHEMBL17403265

SCHEMBL17403265

CC(C)(C)OC(=O)NCCOC(=O)c1cccn2c(=O)[nH]nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
GFER P55789 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
BCHE P06276 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
RPS6KA3 P51812 1/20 0.36
MST1R Q04912 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1A Q13627 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ALK Q9UM73 1/20 0.36

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
SCHEMBL17403264 0.78 LTK (0.44) GSK3AGSK3BALDH1A1RETMET
SCHEMBL28256720 0.73 IDO1 (0.55) IDO1ALDH1A1MALT1BCHECYP1A2
SCHEMBL13920074 0.71 PDPK1 (0.42) GSK3BGFERALDH1A1RPS6KA3L3MBTL1
SCHEMBL29820079 0.70 LTK (0.43) GSK3AGSK3BALDH1A1RETMET
SCHEMBL8457758 0.69 IDO1 (0.62) IDO1ALDH1A1MALT1NPSR1BCHE
SCHEMBL13920149 0.68 NQO2 (0.42) GSK3AGSK3BGFERALDH1A1BCHE
SCHEMBL17433007 0.67 LTK (0.53) GSK3AGSK3BALDH1A1RETMET
SCHEMBL3529957 0.66 BRD4 (0.45) GFERALDH1A1MALT1BCHE
SCHEMBL30206955 0.66 TDP1 (0.55) IDO1MALT1NPSR1CA12CA1
SCHEMBL25332560 0.66 L3MBTL1 (0.56) IDO1ALDH1A1NPSR1CYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9827244-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2017-11-28 US disclosed
US-9827244-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2017-11-28 US disclosed
US-20170000788-A1 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-01-05 US disclosed
US-20170000788-A1 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-01-05 US disclosed
US-9359351-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2016-06-07 US disclosed
US-9359351-B2 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE AG (CH) 2016-06-07 US disclosed
WO-2016005330-A1 DIHYDROPYRIDOPYRAZINE-1,8-DIONES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2016-01-14 WO disclosed
US-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-01-07 US disclosed
US-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-01-07 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 (2 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-20170000788-A1 Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease MME, CAPRIN1, XPNPEP1 IDO1 2023/4885GSK3A 395/4885GSK3B 304/4885
US-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE MME, CAPRIN1, XPNPEP1 IDO1 2023/4885GSK3A 395/4885GSK3B 304/4885

“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.