SCHEMBL1932011

SCHEMBL1932011

CCOc1cc(C(=O)NC(C)(C)C)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MAPT P10636 6/20 0.49
TP53 P04637 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 3/20 0.43

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
SCHEMBL1933702 0.88 NPC1 (0.48) LMNAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL1933083 0.84 ALDH1A1 (0.59) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL1932775 0.82 ALDH1A1 (0.56) LMNAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL1933285 0.82 ALDH1A1 (0.51) LMNAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL4006118 0.81 TDP1 (0.54) LMNAMAPTTP53ALDH1A1KMT2A
SCHEMBL733132 0.79 TSHR (0.50) LMNAMAPTTP53ALDH1A1MEN1
SCHEMBL1932114 0.79 TP53 (0.56) LMNAMAPTTP53ALDH1A1MEN1
SCHEMBL1932820 0.79 TSHR (0.66) LMNAMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL15654424 0.78 TP53 (0.55) LMNAMAPTTP53ALDH1A1MEN1
SCHEMBL23304630 0.77 TSHR (0.47) LMNAMAPTSMN1; SMN2ALDH1A1MEN1

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 14 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

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 LMNA 1537/4885MAPT 2337/4885TP53 2112/4885
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES TTBK1, BUB1, TTK LMNA 1006/4885MAPT 1070/4885TP53 544/4885

“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.