SCHEMBL11346367

SCHEMBL11346367

c1cc(Nc2ccon2)nc(Nc2ccc(N3CCOCC3)cc2)n1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 9/20 0.72
▸ IGF1R P08069 5/20 0.71
▸ AURKA O14965 2/20 0.64
▸ AURKB Q96GD4 1/20 0.64
▸ PLK1 P53350 1/20 0.60
▸ MAPK8 P45983 1/20 0.60
▸ JAK2 O60674 2/20 0.58
▸ JAK3 P52333 1/20 0.58
▸ EPHB4 P54760 1/20 0.57

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
SCHEMBL25709028 0.84 IGF1R (0.76) PLK4IGF1RAURKAAURKBPLK1
SCHEMBL25222845 0.84 PLK4 (0.74) PLK4IGF1RAURKAAURKBPLK1
SCHEMBL30114937 0.84 PLK4 (0.74) PLK4IGF1RAURKAAURKBPLK1
SCHEMBL23887632 0.84 PLK4 (0.74) PLK4IGF1RAURKAAURKBPLK1
SCHEMBL11340146 0.83 IGF1R (1.00) PLK4IGF1RAURKAAURKBPLK1
SCHEMBL11339911 0.81 IGF1R (1.00) PLK4IGF1R
SCHEMBL16423491 0.80 PLK4 (0.70) PLK4IGF1RAURKAAURKBJAK2
SCHEMBL14311619 0.79 PLK4 (0.69) PLK4IGF1RAURKAAURKBPLK1
SCHEMBL28085067 0.78 PLK4 (0.68) PLK4IGF1RAURKAAURKBJAK2
SCHEMBL15492041 0.78 AURKA (1.00) PLK4IGF1RAURKAAURKBMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 — — EP disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 — — US disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 — — US disclosed
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 — — US disclosed
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 — — US disclosed
US-8222256-B2 Methods of using IGFIR and ABL kinase modulators EXELIXIS, INC. (US) 2012-07-17 — — US disclosed
US-8222256-B2 Methods of using IGFIR and ABL kinase modulators EXELIXIS, INC. (US) 2012-07-17 — — US disclosed
US-8211929-B2 N2-{[3-(1-methylethyl)isoxazol-5-yl]methyl}-N4-[5-(1-methylethyl)-1H-pyrazol-3-yl]-6-[(1-methylpiperidin-3-yl)oxy]pyrimidine-2,4-diamine; IGF1R modulators; Abl mutant inhibitors; antiproliferative agents; to modulate cellular activities like differentiation, programmed cell death, migration, chemoinvas EXELIXIS, INC. (US) 2012-07-03 — — US disclosed
US-8211929-B2 N2-{[3-(1-methylethyl)isoxazol-5-yl]methyl}-N4-[5-(1-methylethyl)-1H-pyrazol-3-yl]-6-[(1-methylpiperidin-3-yl)oxy]pyrimidine-2,4-diamine; IGF1R modulators; Abl mutant inhibitors; antiproliferative agents; to modulate cellular activities like differentiation, programmed cell death, migration, chemoinvas EXELIXIS, INC. (US) 2012-07-03 — — US disclosed
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 — — US disclosed
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2010-08-19 — — US disclosed
US-20090232828-A1 Methods of Using IGFIR and ABL Kinase Modulators EXELIXIS, INC. (US) 2009-09-17 — — US disclosed
US-20090232828-A1 Methods of Using IGFIR and ABL Kinase Modulators EXELIXIS, INC. (US) 2009-09-17 — — US disclosed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 — — WO disclosed
WO-2008124161-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS, INC. (US) 2008-10-16 — — WO disclosed
US-20080249079-A1 N2-{[3-(1-methylethyl)isoxazol-5-yl]methyl}-N4-[5-(1-methylethyl)-1H-pyrazol-3-yl]-6-[(1-methylpiperidin-3-yl)oxy]pyrimidine-2,4-diamine; IGF1R modulators; Abl mutant inhibitors; antiproliferative agents; to modulate cellular activities like differentiation, programmed cell death, migration, chemoinvas EXELIXIS, INC. (US) 2008-10-09 — — US disclosed
US-20080249079-A1 N2-{[3-(1-methylethyl)isoxazol-5-yl]methyl}-N4-[5-(1-methylethyl)-1H-pyrazol-3-yl]-6-[(1-methylpiperidin-3-yl)oxy]pyrimidine-2,4-diamine; IGF1R modulators; Abl mutant inhibitors; antiproliferative agents; to modulate cellular activities like differentiation, programmed cell death, migration, chemoinvas EXELIXIS, INC. (US) 2008-10-09 — — US disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 — — US disclosed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 — — WO disclosed
WO-2008005538-A2 METHODS OF USING IGF1R AND ABL KINASE MODULATORS EXELIXIS, INC. (US) 2008-01-10 — — 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 (4 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-20080249079-A1 N2-{[3-(1-methylethyl)isoxazol-5-yl]methyl}-N4-[5-(1-methylethyl)-1H-pyrazol-3-yl]-6-[(1-methylpiperidin-3-yl)oxy]pyrimidine-2,4-diamine; IGF1R modulators; Abl mutant inhibitors; antiproliferative agents; to modulate cellular activities like differentiation, programmed cell death, migration, chemoinvas IGF1R, INSR, ERBB3 PLK4 3139/4885IGF1R 1/4885AURKA 1276/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K PLK4 7/4885IGF1R 1668/4885AURKA 141/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS PLK4 783/4885IGF1R 2279/4885AURKA 183/4885
US-20090232828-A1 Methods of Using IGFIR and ABL Kinase Modulators IGF1R, ABL2, ABL1 PLK4 1493/4885IGF1R 1/4885AURKA 649/4885

“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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