SCHEMBL2587830

SCHEMBL2587830

CCn1ncc2c(C(=O)O)cc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.39
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
HTT P42858 1/20 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
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
PDE5A O76074 1/20 0.35
EZH2 Q15910 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL2588357 0.89 KMO (0.43) KMOPDE1APDE1BPDE1CAKR1C4
SCHEMBL2591408 0.85 KMT2A (0.46) PDE1APDE1BPDE1CKDM4EHSD17B10
SCHEMBL26581083 0.84 NR3C1 (0.41) KMOPDE1APDE1BPDE1CHTT
SCHEMBL456673 0.80 IDO1 (0.41) KMOAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29766050 0.80 IDO1 (0.41) KMOAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL31474839 0.77 KDM4E (0.53) PDE1APDE1BPDE1CAKR1C4AKR1C3
SCHEMBL2588942 0.77 KDM4E (0.53) PDE1APDE1BPDE1CAKR1C4AKR1C3
SCHEMBL16616905 0.76 ADORA2A (0.44) KMOPDE1APDE1BPDE1CHTT
SCHEMBL30622483 0.76 HPGD (0.41) KMOHTTKDM4EALDH1A1LMNA
SCHEMBL16617143 0.75 PTGER3 (0.41) PDE1APDE1BPDE1CLMNAADORA2A

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
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US claimed
EP-2566328-B1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2015-03-04 EP claimed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US claimed
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP claimed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US claimed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO claimed
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US 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-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
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US 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 KMO 2770/4885PDE1A 4832/4885PDE1B 4782/4885
US-20140350013-A1 INDAZOLES IDH3A, CYP3A7, IDH3B KMO 2770/4885PDE1A 4832/4885PDE1B 4782/4885

“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.