SCHEMBL2593480

SCHEMBL2593480

COC(=O)c1cc(-c2cn[nH]c2)cc2c1cnn2C(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 1/20 0.41
EZH2 Q15910 12/20 0.40
EZH1 Q92800 4/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
LRRK2 Q5S007 2/20 0.37
EED O75530 1/20 0.37
RBBP4 Q09028 1/20 0.37
SUZ12 Q15022 1/20 0.37
RBBP7 Q16576 1/20 0.37
AEBP2 Q6ZN18 1/20 0.37
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36

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
SCHEMBL2594243 0.88 KDM4E (0.46) IRAK4ROCK2EZH2EZH1GSK3B
SCHEMBL2594853 0.87 LRRK2 (0.42) EZH2EZH1GSK3BDYRK1ALRRK2
SCHEMBL2592086 0.80 ROCK2 (0.40) ROCK2ROCK1GSK3BDYRK1ALRRK2
SCHEMBL14719750 0.80 NR4A2 (0.53) IRAK4EZH2DYRK1A
SCHEMBL2588056 0.78 EZH2 (0.48) IRAK4EZH2EEDRBBP4SUZ12
SCHEMBL2594144 0.78 EZH2 (0.40) IRAK4EZH2EEDRBBP4SUZ12
SCHEMBL12180709 0.78 KDM4E (0.39) IRAK4EZH2EZH1EEDRBBP4
SCHEMBL31474829 0.78 EZH2 (0.48) IRAK4EZH2EEDRBBP4SUZ12
SCHEMBL2594697 0.78 PDE1A (0.40) IRAK4EZH2EEDRBBP4SUZ12
SCHEMBL2592103 0.78 CDK8 (0.52) IRAK4ROCK2ROCK1EZH2LRRK2

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 17 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
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

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 IRAK4 3746/4885ROCK2 1949/4885ROCK1 1881/4885
US-20140350013-A1 INDAZOLES IDH3A, CYP3A7, IDH3B IRAK4 3746/4885ROCK2 1949/4885ROCK1 1881/4885

“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.