SCHEMBL10240051

SCHEMBL10240051

O=C(Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1)Nc1c(F)cccc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.65
AURKB Q96GD4 9/20 0.65
CDK1 P06493 8/20 0.65
CCNB1 P14635 8/20 0.65
CDK2 P24941 7/20 0.65
PDPK1 O15530 1/20 0.46
FGFR1 P11362 4/20 0.45
FGFR2 P21802 4/20 0.45
FGFR3 P22607 4/20 0.45
KDR P35968 3/20 0.45
CHEK1 O14757 2/20 0.45
BMPR1B O00238 1/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
STK25 O00506 1/20 0.45
GAK O14976 1/20 0.45
EPHB6 O15197 1/20 0.45
BUB1 O43683 1/20 0.45
JAK2 O60674 1/20 0.45
RPS6KA5 O75582 1/20 0.45

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
SCHEMBL13545032 0.95 AURKA (0.58) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL10240253 0.94 AURKA (0.56) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL10240248 0.94 AURKA (0.63) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL10240188 0.91 AURKA (0.54) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL1645610 0.90 AURKA (0.52) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL10240247 0.90 AURKA (0.52) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL10240246 0.90 AURKA (0.54) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL10240238 0.90 AURKA (0.52) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL10240242 0.89 AURKA (0.51) AURKAAURKBCDK1CCNB1CDK2
SCHEMBL8299934 0.89 AURKA (0.51) AURKAAURKBCDK1CCNB1CDK2

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 31 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-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-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-01-09 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-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-2008044045-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 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-2007077435-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-07-12 WO disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US 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 67/4885CDK1 316/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 AURKA 4/4885AURKB 6/4885CDK1 1/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 AURKA 2/4885AURKB 4/4885CDK1 1/4885
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK3, CDK1, AURKA AURKA 3/4885AURKB 9/4885CDK1 2/4885
US-20080132495-A1 Pyrazole Compounds that Modulate the Activity of Cdk, Gsk and Aurora Kinases CDK3, CDK1, AURKA AURKA 3/4885AURKB 9/4885CDK1 2/4885

“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.