SCHEMBL17433263

SCHEMBL17433263

Brc1cn2cnnc2cc1OCC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.53
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
CGAS Q8N884 1/20 0.36
CDK2 P24941 2/20 0.35
MCHR1 Q99705 2/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
MAP4K3 Q8IVH8 1/20 0.34
XDH P47989 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL17433265 0.84 SCN9A (0.53) SCN9ACNR2
SCHEMBL16093938 0.83 SCN9A (0.39) SCN9A
SCHEMBL17418046 0.83 SCN9A (0.43) SCN9A
SCHEMBL17418045 0.83 SCN9A (0.43) SCN9A
SCHEMBL16119896 0.83 SCN9A (0.43) SCN9A
SCHEMBL18400117 0.76 SCN9A (0.36) SCN9A
SCHEMBL16100060 0.76 SCN9A (0.63) SCN9ATHRATHRBCDK2MCHR1
SCHEMBL17418112 0.75 SCN9A (0.49) SCN9A
SCHEMBL17418072 0.75 SCN9A (0.49) SCN9A
SCHEMBL22234962 0.74 SCN9A (0.45) SCN9ATHRATHRBCDK2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 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-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 SCN9A 1460/4885THRA 406/4885THRB 813/4885

“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.