SCHEMBL16094136

SCHEMBL16094136

[O-][n+]1ccc(OCC2CCCCC2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
MCHR1 Q99705 2/20 0.37
CGAS Q8N884 1/20 0.37
CYP19A1 P11511 2/20 0.37
SCN9A Q15858 1/20 0.37
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36
PARP15 Q460N3 2/20 0.35
PARP10 Q53GL7 2/20 0.35
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL15777787 0.92 RIPK1 (0.36) SCN9APARP15PARP10
SCHEMBL17418122 0.82 SCN9A (0.37) SCN9A
SCHEMBL17418124 0.82 SCN9A (0.37) SCN9A
SCHEMBL17433284 0.82 THRA (0.44) THRATHRBMCHR1CGASSCN9A
SCHEMBL16093791 0.81 PDE4A (0.30)
SCHEMBL17418103 0.81 SCN9A (0.35) SCN9A
SCHEMBL17433246 0.81 SCN9A (0.35) SCN9A
SCHEMBL17418102 0.81 SCN9A (0.35) SCN9A
SCHEMBL19225529 0.75 RIPK1 (0.37) THRATHRBCGASSCN9APARP15
SCHEMBL5777914 0.74 LMNA (0.50) THRATHRBMCHR1

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 6 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-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
EP-2968280-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-01-20 EP disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 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-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 THRA 406/4885THRB 813/4885MCHR1 3213/4885

“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.