SCHEMBL18655673

SCHEMBL18655673

O=c1[nH]nc2ccc(B(O)O)cn12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.44
NOTUM Q6P988 11/20 0.33
PDE5A O76074 1/20 0.31
RET P07949 1/20 0.31
MET P08581 1/20 0.31
LTK P29376 1/20 0.31
GRK5 P34947 1/20 0.31
CDK8 P49336 1/20 0.31
RPS6KA3 P51812 1/20 0.31
MST1R Q04912 1/20 0.31
TYRO3 Q06418 1/20 0.31
DYRK1A Q13627 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
ALK Q9UM73 1/20 0.31
DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL25338944 0.75 LTK (0.33) SCN5ANOTUMRETMETLTK
SCHEMBL20772490 0.73 SCN5A (0.51) SCN5ANOTUMPDE5ARETMET
SCHEMBL3793191 0.71 SCN5A (0.43) SCN5ANOTUMPDE5ARETMET
SCHEMBL406976 0.69 SCN5A (0.48) SCN5ANOTUM
SCHEMBL17403215 0.69 TDP1 (0.47) SCN5ANOTUM
SCHEMBL6730706 0.69 SCN5A (0.44) SCN5ANOTUMPDE5A
SCHEMBL16154734 0.69 SCN5A (0.48) SCN5ANOTUM
SCHEMBL20773134 0.69 SCN5A (0.48) SCN5ANOTUMPDE5ARETMET
SCHEMBL18632542 0.68 SCN5A (0.61) SCN5ANOTUM
SCHEMBL10203097 0.68 SCN5A (0.61) SCN5ANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017046350-A1 TRIAZOLONES DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2017-03-23 WO disclosed
US-20170081324-A1 Triazolones derivatives and their use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
US-20170081324-A1 Triazolones derivatives and their 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-20170081324-A1 Triazolones derivatives and their use in the treatment, amelioration or prevention of a viral disease MAPT, TPMT, TTR SCN5A 1331/4885NOTUM 1088/4885PDE5A 1086/4885

“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.