SCHEMBL546289

SCHEMBL546289

CC(C)(C)OC(=O)Nc1c[nH]nc1C(=O)N(N)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.39
▸ EPAS1 Q99814 2/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ APBA1 Q02410 1/20 0.36
▸ SAE1 Q9UBE0 1/20 0.36
▸ UBA2 Q9UBT2 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
SCHEMBL546616 0.90 KCNH2 (0.38) CD274SMN1; SMN2KMT2ARAB9AKCNH2
SCHEMBL546615 0.80 KCNH2 (0.43) HIF1AEPAS1CD274MAPK1SMN1; SMN2
SCHEMBL546288 0.80 KCNH2 (0.44) CD274MAPK1SMN1; SMN2RAB9AKCNH2
SCHEMBL24188776 0.77 HIF1A (0.48) HIF1AEPAS1AOC3MAPK1SMN1; SMN2
SCHEMBL22571323 0.74 CD274 (0.61) HIF1AEPAS1POLBCD274MAPK1
SCHEMBL10280189 0.73 KCNH2 (0.37) HIF1AEPAS1AOC3CD274MAPK1
SCHEMBL4975316 0.72 SMN1; SMN2 (0.52) POLBCD274MAPK1SMN1; SMN2KMT2A
SCHEMBL3090173 0.70 TSHR (0.59) HIF1AEPAS1AOC3CD274MAPK1
SCHEMBL1897260 0.70 HIF1A (0.55) HIF1AEPAS1POLBCD274MAPK1
SCHEMBL29515244 0.68 HRH3 (0.54) HIF1AEPAS1AOC3SMN1; SMN2RAB9A

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-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-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-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-07-26 — — US disclosed
US-8110573-B2 Enzyme inhibitors; Cyclin-Dependent Kinases (CDK), Glycogen Synthase Kinases (GSK); -cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1H-benzoimidazol-2-yl)-1H-pyrazol-4-yl]-urea salt for example; anticancer agents ASTEX THERAPEUTICS LIMITED (GB) 2012-02-07 — — US disclosed
EP-2395000-A1 Benzimidazole compounds that modulate the activity of CDK, GSK and aurora kinases Astex Therapeutics Limited (GB) 2011-12-14 — — EP disclosed
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-30 — — US disclosed
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-05-05 — — US disclosed
US-20100055094-A1 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3-(5-M0RPHOOLIN-4-YL-METHYL-1H-BENZOIMIDAZOL-2-YL)- LH-1-PYRAZOL-4-YL]- UREA ASTEX THERAPEUTICS LIMITED (GB) 2010-03-04 — — US disclosed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 — — US disclosed
WO-2009138799-A1 THERAPEUTIC USES OF 1-CYCL0PR0PYL-3 - [3- ( 5 -MORPHOLIN- 4 -YLMETHYL- 1H-BENZ0IMIDAZ0L- 2 -YL) -LH-PYRAZOL-4-YL] -UREA ASTEX THERAPEUTICS LIMITED (GB) 2009-11-19 — — WO disclosed
EP-1968579-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2008-09-17 — — EP 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
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-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 (6 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-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET HIF1A 3280/4885EPAS1 1402/4885AOC3 3237/4885
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK3, CDK1, AURKA HIF1A 4062/4885EPAS1 3183/4885AOC3 3645/4885
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases CDK3, CDK1, AURKA HIF1A 4062/4885EPAS1 3183/4885AOC3 3645/4885
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, GSK3A HIF1A 748/4885EPAS1 3956/4885AOC3 1987/4885
US-20100055094-A1 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3-(5-M0RPHOOLIN-4-YL-METHYL-1H-BENZOIMIDAZOL-2-YL)- LH-1-PYRAZOL-4-YL]- UREA LDHA, LDHB, PDK4 HIF1A 1126/4885EPAS1 3990/4885AOC3 1631/4885
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS SLC10A1, CYP11B2, SDHB HIF1A 1824/4885EPAS1 3873/4885AOC3 3294/4885

“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.

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