SCHEMBL17403245

SCHEMBL17403245

O=C(N[C@@H](C(=O)O)c1ccccc1)c1cccn2c(=O)[nH]nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 2/20 0.47
ALK Q9UM73 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
RET P07949 1/20 0.47
MET P08581 1/20 0.47
GRK5 P34947 1/20 0.47
CDK8 P49336 1/20 0.47
RPS6KA3 P51812 1/20 0.47
MST1R Q04912 1/20 0.47
TYRO3 Q06418 1/20 0.47
DYRK1A Q13627 1/20 0.47
LRRK2 Q5S007 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TACR3 P29371 2/20 0.42
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL17403241 0.80 LTK (0.46) LTKALKDYRK1BRETMET
SCHEMBL17403231 0.74 CA1 (0.46) TACR3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17433007 0.72 LTK (0.53) LTKALKDYRK1BRETMET
SCHEMBL23864247 0.70 KDM4E (0.53) TACR3KEAP1NFE2L2HDAC4HDAC1
SCHEMBL16088670 0.70 KDM4E (0.53) TACR3KEAP1NFE2L2HDAC4HDAC1
SCHEMBL17403263 0.70 LTK (0.42) LTKALKDYRK1BRETMET
SCHEMBL2761357 0.68 TACR3 (0.60) TACR3KEAP1NFE2L2HDAC4HDAC1
SCHEMBL11439511 0.67 LMNA (0.51) TACR3KEAP1NFE2L2HDAC4HDAC1
SCHEMBL6225507 0.67 POLB (0.50) TACR3KEAP1NFE2L2HDAC4HDAC1
SCHEMBL25439455 0.66 KDM4E (0.53) TACR3KEAP1NFE2L2HDAC4HDAC1

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 LTK 3881/4885ALK 4363/4885DYRK1B 1100/4885
US-20160002227-A1 CAP/ENDO DUAL INHIBITORS AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE MME, CAPRIN1, XPNPEP1 LTK 3881/4885ALK 4363/4885DYRK1B 1100/4885

“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.