SCHEMBL18632519

SCHEMBL18632519

O=c1[nH]nc2c(-c3ccccc3)cccn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 2/20 1.00
ALK Q9UM73 2/20 1.00
DYRK1B Q9Y463 2/20 1.00
RET P07949 1/20 1.00
MET P08581 1/20 1.00
GRK5 P34947 1/20 1.00
CDK8 P49336 1/20 1.00
RPS6KA3 P51812 1/20 1.00
MST1R Q04912 1/20 1.00
TYRO3 Q06418 1/20 1.00
DYRK1A Q13627 1/20 1.00
LRRK2 Q5S007 1/20 1.00
CLK4 Q9HAZ1 1/20 1.00
CHEK1 O14757 1/20 0.75
DAPK3 O43293 1/20 0.75
ABL1 P00519 1/20 0.75
PRKACA P17612 1/20 0.75
KDR P35968 1/20 0.75
LIMK1 P53667 1/20 0.75
ROCK1 Q13464 1/20 0.75

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
SCHEMBL1855620 0.75 LTK (0.60) LTKALKDYRK1BRETMET
SCHEMBL20775937 0.74 LTK (0.58) LTKALKDYRK1BRETMET
SCHEMBL13824876 0.74 CHEK1 (0.62) LTKALKDYRK1BRETMET
SCHEMBL1585160 0.74 CLK4 (0.58) LTKALKDYRK1BRETMET
SCHEMBL17408735 0.74 LTK (0.58) LTKALKDYRK1BRETMET
SCHEMBL20772869 0.74 LTK (0.58) LTKALKDYRK1BRETMET
SCHEMBL17403235 0.73 LTK (0.58) LTKALKDYRK1BRETMET
SCHEMBL18642511 0.73 LTK (0.57) LTKALKDYRK1BRETMET
SCHEMBL11033067 0.72 LTK (0.56) LTKALKDYRK1BRETMET
SCHEMBL30505890 0.71 LTK (0.55) LTKALKDYRK1BRETMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
WO-2017046318-A1 TRIAZOLONES DERIVATIVES FOR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2017-03-23 WO disclosed
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 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-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease OAT, XDH, MAPT LTK 1701/4885ALK 2732/4885DYRK1B 761/4885

“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.