SCHEMBL1932090

SCHEMBL1932090

CNCCN(C)C(=O)c1ccc(Br)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
BLM P54132 1/20 0.41
HTR2A P28223 1/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.39
ELANE P08246 1/20 0.39
LRRK2 Q5S007 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL18340655 0.85 HTT (0.52) HTTROCK2ROCK1KMT2ACYP1A2
SCHEMBL15658320 0.85 HTT (0.52) HTTROCK2ROCK1KMT2ACYP1A2
SCHEMBL1933798 0.84 HTT (0.51) HTTROCK2ROCK1KMT2ACYP1A2
SCHEMBL12970644 0.84 HTT (0.57) HTTROCK2ROCK1KMT2ACYP1A2
SCHEMBL12970645 0.83 HTT (0.48) HTTROCK2ROCK1KMT2APOLB
SCHEMBL8606283 0.82 RARA (0.44) HTTROCK2ROCK1KMT2ASLC6A2
SCHEMBL15656288 0.82 HTT (0.54) HTTROCK2ROCK1KMT2ACYP1A2
SCHEMBL15020075 0.81 ALDH1A1 (0.50) HTTKMT2ASLC6A2SLC6A4CYP1A2
SCHEMBL7276036 0.81 KMT2A (0.49) KMT2ASLC6A2POLBALDH1A1MAPT
Hydrochloric Acid SCHEMBL9750666 0.80 KMT2A (0.48) KMT2ASLC6A2POLBALDH1A1MAPT

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 13 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
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
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 HTT 810/4885ROCK2 828/4885ROCK1 801/4885
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES TTBK1, BUB1, TTK HTT 1843/4885ROCK2 1247/4885ROCK1 577/4885

“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.