SCHEMBL10240218

SCHEMBL10240218

O=C(NCC1CC1)Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.49
AURKB Q96GD4 9/20 0.49
FLT3 P36888 5/20 0.49
FGFR1 P11362 2/20 0.49
FGFR2 P21802 2/20 0.49
FGFR3 P22607 2/20 0.49
GSK3B P49841 2/20 0.49
CHEK1 O14757 2/20 0.49
BMPR1B O00238 1/20 0.49
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
STK25 O00506 1/20 0.49
GAK O14976 1/20 0.49
EPHB6 O15197 1/20 0.49
BUB1 O43683 1/20 0.49
JAK2 O60674 1/20 0.49
RPS6KA5 O75582 1/20 0.49
RPS6KA4 O75676 1/20 0.49
STK16 O75716 1/20 0.49
STK10 O94804 1/20 0.49

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
SCHEMBL10240195 0.98 AURKA (0.50) AURKAAURKBFLT3FGFR1FGFR2
SCHEMBL10240129 0.89 PDPK1 (0.47) AURKAAURKBFLT3FGFR1FGFR2
At-9283 SCHEMBL545942 0.89 AURKA (0.62) AURKAAURKBFLT3FGFR1FGFR2
SCHEMBL12027307 0.88 AURKA (0.46) AURKAAURKBFLT3FGFR1FGFR2
SCHEMBL4566263 0.88 AURKA (0.46) AURKAAURKBFLT3FGFR1FGFR2
At-9283 SCHEMBL546435 0.88 AURKA (0.61) AURKAAURKBFLT3FGFR1FGFR2
At-9283 SCHEMBL546034 0.88 AURKA (0.61) AURKAAURKBFLT3FGFR1FGFR2
SCHEMBL10240197 0.88 AURKA (0.63) AURKAAURKBFLT3FGFR1FGFR2
SCHEMBL8299907 0.87 AURKA (0.51) AURKAAURKBFLT3FGFR1FGFR2
SCHEMBL10240259 0.87 AURKA (0.60) AURKAAURKBFLT3FGFR1FGFR2

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-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-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-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
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
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-30 US disclosed
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-30 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-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
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 AURKA 98/4885AURKB 67/4885FLT3 52/4885
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK3, CDK1, AURKA AURKA 3/4885AURKB 9/4885FLT3 795/4885
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases CDK3, CDK1, AURKA AURKA 3/4885AURKB 9/4885FLT3 795/4885
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 AURKA 261/4885AURKB 714/4885FLT3 366/4885
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS SLC10A1, CYP11B2, SDHB AURKA 1051/4885AURKB 878/4885FLT3 815/4885

“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.