SCHEMBL18632525

SCHEMBL18632525

O=c1[nH]nc2ccc(-c3cccc(Cl)c3)cn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.51
JAK2 O60674 1/20 0.47
NOTUM Q6P988 2/20 0.45
PGR P06401 10/20 0.44
PDPK1 O15530 1/20 0.43
MAPK13 O15264 1/20 0.42
DYRK3 O43781 1/20 0.42
MAP4K4 O95819 1/20 0.42
FYN P06241 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
CSNK1D P48730 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3B P49841 1/20 0.42
BLK P51451 1/20 0.42
CSNK2A1 P68400 1/20 0.42
STK3 Q13188 1/20 0.42
CAMK2B Q13554 1/20 0.42
DYRK1A Q13627 1/20 0.42

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
SCHEMBL18632538 0.85 SCN5A (0.57) SCN5AJAK2NOTUMPDPK1PIM1
SCHEMBL18632542 0.83 SCN5A (0.61) SCN5ANOTUMMAP4K4
SCHEMBL18632534 0.83 SCN5A (0.54) SCN5ANOTUMPGRPDPK1MKNK1
SCHEMBL18632530 0.82 SCN5A (0.62) SCN5ANOTUMPDPK1PIM1FGFR1
SCHEMBL18632535 0.82 SCN5A (0.62) SCN5ANOTUMPDPK1PIM1FGFR1
SCHEMBL18632523 0.81 SCN5A (0.52) SCN5ANOTUMPDPK1DYRK1ACLK4
SCHEMBL253974 0.79 SCN5A (0.57) SCN5ANOTUMPGRPDPK1MKNK1
SCHEMBL2462263 0.76 SCN5A (0.48) SCN5ANOTUMGSK3B
SCHEMBL18632513 0.75 SCN5A (0.49) SCN5AJAK2NOTUMPGRDYRK1A
SCHEMBL18632511 0.75 LTK (0.55) SCN5ANOTUMMAP4K4PIM1FGFR1

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
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

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 2658/4885NOTUM 541/4885

“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.