SCHEMBL18632528

SCHEMBL18632528

O=C1NNCc2ccc(-c3ccccc3)cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK2 Q16620 2/20 0.71
CLK4 Q9HAZ1 2/20 0.71
DYRK1B Q9Y463 2/20 0.71
TYRO3 Q06418 1/20 0.71
TDP2 O95551 11/20 0.51
JAK2 O60674 1/20 0.51
NTRK1 P04629 1/20 0.51
MET P08581 1/20 0.51
FGFR1 P11362 1/20 0.51
PRKACA P17612 1/20 0.51
KDR P35968 1/20 0.51
MAP2K2 P36507 1/20 0.51
FLT3 P36888 1/20 0.51
GSK3B P49841 1/20 0.51
MAP2K1 Q02750 1/20 0.51
MST1R Q04912 1/20 0.51
NTRK3 Q16288 1/20 0.51
CAMK1D Q8IU85 1/20 0.51
FYN P06241 1/20 0.51
PARP10 Q53GL7 1/20 0.46

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
SCHEMBL8723086 0.83 CLK4 (1.00) NTRK2CLK4DYRK1BTYRO3TDP2
SCHEMBL30585092 0.76 CA12 (0.63) NTRK2CLK4DYRK1BTYRO3TDP2
SCHEMBL948923 0.76 CA12 (0.63) NTRK2CLK4DYRK1BTYRO3TDP2
SCHEMBL5253621 0.73 PARP10 (0.77) NTRK2CLK4DYRK1BTYRO3TDP2
SCHEMBL8178456 0.70 HPGD (0.55) NTRK2CLK4DYRK1BTYRO3JAK2
SCHEMBL10045703 0.69 TYRO3 (0.56) NTRK2CLK4DYRK1BTYRO3TDP2
SCHEMBL10045704 0.69 TYRO3 (0.56) NTRK2CLK4DYRK1BTYRO3TDP2
SCHEMBL8167297 0.69 CLK4 (0.75) NTRK2CLK4DYRK1BTYRO3TDP2
SCHEMBL25920352 0.69 CLK4 (0.73) NTRK2CLK4DYRK1BTYRO3JAK2
SCHEMBL7180348 0.68 MEN1 (0.56) NTRK2CLK4DYRK1BTYRO3TDP2

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
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
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 NTRK2 3199/4885CLK4 153/4885DYRK1B 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.