SCHEMBL2587362

SCHEMBL2587362

O=C(O)c1cc(Br)cc2c1cnn2C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.39
KDM5A P29375 3/20 0.39
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 1/20 0.38
HCAR3 P49019 2/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE9A O76083 1/20 0.36
NOTUM Q6P988 1/20 0.36
KDM4C Q9H3R0 3/20 0.35
KDM5B Q9UGL1 2/20 0.35
TDO2 P48775 2/20 0.34
IDO1 P14902 1/20 0.34
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL14716794 1.00 OPRK1 (0.39) OPRK1KDM5AKDM4EKMT2AHCAR3
SCHEMBL2594585 0.94 OPRK1 (0.43) OPRK1KDM5AKDM4EKMT2AHCAR3
SCHEMBL2595724 0.85 OPRK1 (0.45) OPRK1
SCHEMBL22499043 0.80 RXRA (0.47) OPRK1KDM4EKMT2ATDO2IDO1
SCHEMBL2594073 0.80 OPRK1 (0.50) OPRK1
SCHEMBL2591384 0.77 PDE9A (0.43) KDM5AKDM4EKMT2AHCAR3PDE9A
SCHEMBL456673 0.77 IDO1 (0.41) KDM4EKMT2AAKR1C4AKR1C3AKR1C2
SCHEMBL29766050 0.77 IDO1 (0.41) KDM4EKMT2AAKR1C4AKR1C3AKR1C2
SCHEMBL12498440 0.74 KDM5A (0.41) KDM5AKDM4EHCAR3PDE9AKDM4C
SCHEMBL2587830 0.73 KMO (0.39) KDM4EHCAR3AKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US disclosed
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US disclosed
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US disclosed
EP-2566328-B1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2015-03-04 EP disclosed
EP-2566328-B1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2015-03-04 EP disclosed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-8846935-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
US-8846935-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
US-8846935-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
WO-2013067300-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 WO disclosed
WO-2013067300-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 WO disclosed
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 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-20130053383-A1 INDAZOLES IDH3A, CYP3A7, IDH3B OPRK1 3248/4885KDM5A 1713/4885KDM4E 2573/4885
US-20140350013-A1 INDAZOLES IDH3A, CYP3A7, IDH3B OPRK1 3248/4885KDM5A 1713/4885KDM4E 2573/4885

“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.