SCHEMBL546288

SCHEMBL546288

CC(C)(C)OC(=O)Nc1c[nH]nc1C(=O)Nc1ccc(CN2CCOCC2)cc1N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.44
▸ CD274 Q9NZQ7 1/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ WDR5 P61964 4/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ACHE P22303 1/20 0.38
▸ GALR3 O60755 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL546615 0.93 KCNH2 (0.43) KCNH2CD274GSK3BDYRK1AWDR5
SCHEMBL10240094 0.87 KCNH2 (0.48) KCNH2GSK3BDYRK1AHDAC1RAB9A
SCHEMBL12027322 0.87 KCNH2 (0.46) KCNH2GSK3BDYRK1AHDAC1RAB9A
SCHEMBL11888568 0.87 KCNH2 (0.44) KCNH2GSK3BDYRK1AWDR5HDAC1
SCHEMBL546189 0.85 KCNH2 (0.49) KCNH2GSK3BDYRK1AHDAC1RAB9A
SCHEMBL11888569 0.80 KCNH2 (0.42) KCNH2GSK3BDYRK1AWDR5HDAC1
SCHEMBL10240088 0.80 KCNH2 (0.46) KCNH2GSK3BDYRK1AHDAC1RAB9A
SCHEMBL546289 0.80 HIF1A (0.39) KCNH2CD274RAB9AHSP90AA1MAPK1
SCHEMBL10280189 0.79 KCNH2 (0.37) KCNH2CD274GSK3BDYRK1ARAB9A
SCHEMBL546616 0.79 KCNH2 (0.38) KCNH2CD274WDR5RAB9AHSP90AA1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 — — US disclosed
US-8778936-B2 Pyrazole compounds that modulate the activity of CDK, GSK and aurora kinases ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 — — US disclosed
US-8778936-B2 Pyrazole compounds that modulate the activity of CDK, GSK and aurora kinases ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 — — US disclosed
US-8778936-B2 Pyrazole compounds that modulate the activity of CDK, GSK and aurora kinases ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 — — US disclosed
US-8435970-B2 Title compound is drug AT-9283, inhibitor of Cyclin Dependent Kinases (CDK kinases), Aurora kinases and Glycogen Synthase Kinase-3 (GSK3) ASTEX THERAPEUTICS LIMITED (GB) 2013-05-07 — — US disclosed
US-8435970-B2 Title compound is drug AT-9283, inhibitor of Cyclin Dependent Kinases (CDK kinases), Aurora kinases and Glycogen Synthase Kinase-3 (GSK3) ASTEX THERAPEUTICS LIMITED (GB) 2013-05-07 — — US disclosed
US-8399442-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-03-19 — — US disclosed
US-8399442-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-03-19 — — US disclosed
US-8399442-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-03-19 — — US disclosed
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-07-26 — — US disclosed
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-06-05 — — US disclosed
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-06-05 — — US disclosed
WO-2008001101-A2 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-03 — — WO disclosed
WO-2008001101-A2 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-03 — — WO disclosed
WO-2008001115-A2 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3- (5-M0RPHOOLIN-4-YLMETHYL-1H-BENZOIMIDAZOL-2-YL) -LH-1-PYRAZOL- 4-YL] -UREA ASTEX THERAPEUTICS LIMITED (GB) 2008-01-03 — — WO disclosed
WO-2008001115-A2 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3- (5-M0RPHOOLIN-4-YLMETHYL-1H-BENZOIMIDAZOL-2-YL) -LH-1-PYRAZOL- 4-YL] -UREA ASTEX THERAPEUTICS LIMITED (GB) 2008-01-03 — — WO disclosed
EP-1833819-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-19 — — EP disclosed
WO-2007077435-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-07-12 — — WO disclosed
WO-2007077435-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-07-12 — — WO disclosed
WO-2006070195-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 — — 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-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK3, CDK1, AURKA KCNH2 2338/4885CD274 2652/4885GSK3B 8/4885
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases CDK3, CDK1, AURKA KCNH2 2338/4885CD274 2652/4885GSK3B 8/4885

“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.

Send feedback