SCHEMBL1933083

SCHEMBL1933083

COc1cc(C(=O)NC(C)(C)C)ccc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 2/20 0.59
ALOX12 P18054 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
PTPN7 P35236 1/20 0.50
DUSP3 P51452 1/20 0.50
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
ANO1 Q5XXA6 2/20 0.45
HPGD P15428 1/20 0.45
LRRK2 Q5S007 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ROCK2 O75116 1/20 0.44

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
SCHEMBL16142945 0.88 ALDH1A1 (0.75) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL1933162 0.85 RAB9A (0.53) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL23224211 0.85 IMPDH2 (0.60) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL1932011 0.84 LMNA (0.50) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL27026756 0.83 MAPT (0.53) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL6997419 0.83 TAS1R3 (0.52) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL13731075 0.82 PLK1 (0.53) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL13701787 0.81 ANO1 (0.53) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL6995544 0.81 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL9221435 0.81 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ACYP1A2

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 8 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-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
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
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

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 ALDH1A1 1037/4885MAPT 2337/4885MEN1 785/4885
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES TTBK1, BUB1, TTK ALDH1A1 2916/4885MAPT 1070/4885MEN1 432/4885

“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.