SCHEMBL16099728

SCHEMBL16099728

Clc1ccc(OCc2cc3nnc(Br)n3cc2C2CC2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.67
SCN1A P35498 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN2A Q99250 1/20 0.49
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL17433256 0.91 SCN9A (0.58) SCN9ASCN1ASCN5ASCN2ANPC1
SCHEMBL16099494 0.88 SCN9A (0.70) SCN9ASCN1ASCN5ASCN2A
SCHEMBL16100004 0.85 SCN9A (0.65) SCN9ASCN1ASCN5ASCN2A
SCHEMBL16100453 0.82 SCN9A (0.70) SCN9ASCN1ASCN5ASCN2A
SCHEMBL16103139 0.80 SCN9A (1.00) SCN9ASCN1ASCN5ASCN2A
SCHEMBL16098703 0.80 SCN9A (0.58) SCN9ASCN1ASCN5ASCN2A
SCHEMBL16100435 0.80 SCN9A (1.00) SCN9ASCN1ASCN5ASCN2A
SCHEMBL16099227 0.79 SCN9A (0.69) SCN9ASCN1ASCN5ASCN2A
SCHEMBL16119850 0.77 SCN9A (1.00) SCN9ASCN1ASCN5ASCN2A
SCHEMBL16100295 0.73 SCN9A (0.37) SCN9ASCN1ASCN5ASCN2A

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 9 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
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
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
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 SCN9A 1460/4885SCN1A 430/4885SCN5A 425/4885

“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.