SCHEMBL18632513

SCHEMBL18632513

O=c1[nH]nc2ccc(-c3ccccc3Cl)cn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.49
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
LTK P29376 2/20 0.42
ALK Q9UM73 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
RET P07949 1/20 0.42
MET P08581 1/20 0.42
GRK5 P34947 1/20 0.42
CDK8 P49336 1/20 0.42
RPS6KA3 P51812 1/20 0.42
MST1R Q04912 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1A Q13627 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
NOTUM Q6P988 3/20 0.42
NPC1 O15118 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
SCHEMBL18632511 0.85 LTK (0.55) SCN5ALTKALKDYRK1BRET
SCHEMBL18632537 0.81 SCN5A (0.48) SCN5ALTKALKDYRK1BRET
SCHEMBL18632531 0.80 SCN5A (0.47) SCN5ALTKALKDYRK1BRET
SCHEMBL18632535 0.80 SCN5A (0.62) SCN5ALTKALKDYRK1BRET
SCHEMBL3555401 0.79 CNR1 (0.43) SCN5AJAK2JAK1TYK2JAK3
SCHEMBL18632542 0.78 SCN5A (0.61) SCN5ANOTUMNPC1RAB9A
SCHEMBL18632536 0.78 SCN5A (0.51) SCN5ANOTUMNPC1CYP1A2CYP3A4
SCHEMBL18632514 0.77 SCN5A (0.50) SCN5ALTKALKDYRK1BRET
SCHEMBL18632526 0.77 SCN5A (0.47) SCN5ALTKALKDYRK1BRET
SCHEMBL18632525 0.75 SCN5A (0.51) SCN5AJAK2DYRK1ACLK4NOTUM

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 SCN5A 1311/4885JAK2 2658/4885JAK1 1006/4885

“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.