SCHEMBL9998665

SCHEMBL9998665

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
GLA P06280 1/20 0.57
HSD17B10 Q99714 1/20 0.48
PKM P14618 1/20 0.48
LRRK2 Q5S007 4/20 0.47
TSHR P16473 1/20 0.46
HPGD P15428 4/20 0.46
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
JAK2 O60674 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NSD2 O96028 1/20 0.45
NR4A1 P22736 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
DNMT1 P26358 1/20 0.45
PTPN7 P35236 1/20 0.45
PHGDH O43175 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
SCHEMBL12070293 0.85 HSD17B10 (0.48) KMT2AGLAHSD17B10PKMLRRK2
SCHEMBL9996726 0.85 HSD17B10 (0.65) KMT2AGLAHSD17B10HPGDL3MBTL1
SCHEMBL9999224 0.84 KMT2A (0.59) KMT2AGLAHSD17B10PKMLRRK2
SCHEMBL789725 0.81 KMT2A (0.80) KMT2AGLAPKMLRRK2HPGD
SCHEMBL9996956 0.80 KMT2A (0.60) KMT2AGLAPKMLRRK2TSHR
SCHEMBL31533272 0.79 KMT2A (0.60) KMT2AGLAPKMTSHRHPGD
SCHEMBL332889 0.79 KMT2A (0.60) KMT2AGLAPKMTSHRHPGD
SCHEMBL2802978 0.77 TSHR (0.42) TSHRPOLBKDM4EALDH1A1
SCHEMBL8012403 0.75 GSK3B (0.42)
SCHEMBL9996865 0.74 HSP90AA1 (0.63) KMT2AGLAPKMTSHRHPGD

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 9 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-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 2516/4885HSD17B10 4471/4885

“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.