SCHEMBL9999224

SCHEMBL9999224

O=C(c1ccc(Br)c(OCC(F)(F)F)c1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
GLA P06280 1/20 0.59
LRRK2 Q5S007 8/20 0.49
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MLYCD O95822 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.46
EPHX2 P34913 1/20 0.46
HPGD P15428 2/20 0.45
TTK P33981 1/20 0.45

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
SCHEMBL15036821 0.89 HPGD (0.50) KMT2AGLAHSD17B10MLYCDTSHR
SCHEMBL17076704 0.86 KMT2A (0.50) KMT2AGLALRRK2HSP90AA1HSP90AB1
SCHEMBL12070732 0.86 KMT2A (0.50) KMT2AGLALRRK2HSP90AA1HSP90AB1
SCHEMBL18661932 0.85 KMT2A (0.52) KMT2AGLALRRK2HSP90AA1HSP90AB1
SCHEMBL9998665 0.84 KMT2A (0.57) KMT2AGLALRRK2HSP90AA1HSP90AB1
SCHEMBL9996956 0.84 KMT2A (0.60) KMT2AGLALRRK2HSP90AA1HSP90AB1
SCHEMBL9996726 0.84 HSD17B10 (0.65) KMT2AGLAHSD17B10HPGD
SCHEMBL15036968 0.83 GLRA1 (0.41) KMT2AGLALRRK2HPGD
SCHEMBL9999391 0.83 MRGPRX4 (0.45) KMT2AGLALRRK2EPHX2
SCHEMBL14060831 0.82 MRGPRX4 (0.47) KMT2AGLALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
EP-2582699-A1 SUBSTITUTED TRIAZOLOPYRIDINES Bayer Intellectual Property GmbH (DE) 2013-04-24 EP disclosed
WO-2012160029-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 WO disclosed
WO-2012160029-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 WO disclosed
WO-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 WO disclosed
WO-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 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-20130156756-A1 Substituted Triazolopyridines CCND2, CCND1, QDPR KMT2A 3323/4885GLA 2516/4885LRRK2 1525/4885

“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.