SCHEMBL1933159

SCHEMBL1933159

O=C(NCC(F)(F)F)c1ccc(Br)c(OCC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.41
EPHX2 P34913 2/20 0.41
MAPK14 Q16539 1/20 0.40
ULK1 O75385 2/20 0.40
CNR2 P34972 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.39
CNR1 P21554 1/20 0.39
LOXL2 Q9Y4K0 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
SCHEMBL1934133 0.90 CNR2 (0.52) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1933211 0.87 ALDH1A1 (0.46) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13732419 0.87 KDM4E (0.43) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1932931 0.85 L3MBTL1 (0.49) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL13731276 0.83 ALDH1A1 (0.49) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13732905 0.82 PPARD (0.45) KDM4ESMN1; SMN2NPC1RAB9AHTT
SCHEMBL1932761 0.81 L3MBTL1 (0.51) KDM4ERAB9AHTTALDH1A1L3MBTL1
SCHEMBL1934261 0.81 NOTUM (0.58) KDM4EMAPTHTTKMT2AALDH1A1
SCHEMBL15019876 0.80 MAPK1 (0.43) KDM4ESMN1; SMN2MAPTHTTMEN1
SCHEMBL12553697 0.80 RAB9A (0.45) KDM4ESMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699575-B1 TRIAZOLOPYRIDINES BAYER IP GMBH (DE) 2015-03-25 EP disclosed
EP-2699575-B1 TRIAZOLOPYRIDINES BAYER IP GMBH (DE) 2015-03-25 EP disclosed
EP-2507236-B1 Triazolopyridine derivates BAYER IP GMBH (DE) 2014-12-17 EP disclosed
EP-2507236-B1 Triazolopyridine derivates BAYER IP GMBH (DE) 2014-12-17 EP disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
EP-2699575-A1 TRIAZOLOPYRIDINES Bayer Intellectual Property GmbH (DE) 2014-02-26 EP disclosed
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
WO-2012143329-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
EP-2507236-A1 TRIAZOLOPYRIDINE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2012-10-10 EP disclosed
WO-2011064328-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 WO disclosed
WO-2011064328-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 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 (2 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-20140120087-A1 TRIAZOLOPYRIDINES QDPR, TBXA2R, KCNJ11 KDM4E 3950/4885SMN1; SMN2 1769/4885NPC1 1075/4885
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES TTBK1, BUB1, TTK KDM4E 3659/4885SMN1; SMN2 1155/4885NPC1 1638/4885

“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.