SCHEMBL16093908

SCHEMBL16093908

NNc1cc(OCc2ccccc2)c(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK14 Q16539 2/20 0.42
LTA4H P09960 1/20 0.42
LRRK2 Q5S007 1/20 0.40
CCR5 P51681 3/20 0.40
MAOB P27338 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
C5AR1 P21730 1/20 0.39
PLAU P00749 1/20 0.39

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
SCHEMBL190760 0.82 ALDH1A1 (0.43) SMN1; SMN2RAB9AMAPTALDH1A1LMNA
SCHEMBL29598115 0.80 MPO (0.49) SMN1; SMN2RAB9AMAPTNPC1GAA
SCHEMBL192085 0.80 MPO (0.49) SMN1; SMN2RAB9AMAPTNPC1GAA
Bromide SCHEMBL29598384 0.79 MPO (0.48) SMN1; SMN2RAB9AMAPTNPC1GAA
Bromide SCHEMBL22834597 0.79 MPO (0.48) SMN1; SMN2RAB9AMAPTNPC1GAA
SCHEMBL10200181 0.77 MAPT (0.50) SMN1; SMN2RAB9AMAPTLMNASTAT3
SCHEMBL31488465 0.77 PLAU (0.45) SMN1; SMN2RAB9AMAPTNPC1STAT3
SCHEMBL16094138 0.77 PLAU (0.45) SMN1; SMN2RAB9AMAPTNPC1STAT3
SCHEMBL16805009 0.77 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AMAPTLMNASTAT3
SCHEMBL16783083 0.73 AOC3 (0.48) SMN1; SMN2RAB9AMAPTLMNAGAA

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 SMN1; SMN2 3492/4885RAB9A 3610/4885MAPT 4773/4885

“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.