SCHEMBL1789469

SCHEMBL1789469

Cc1cc(Nc2nc(N)nc(OCCN3CCCC3)c2Cc2cc(C)no2)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.45
HRH3 Q9Y5N1 8/20 0.33
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
GRM4 Q14833 1/20 0.31

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
SCHEMBL1788923 0.84 IGF1R (0.47) IGF1R
SCHEMBL1788997 0.79 IGF1R (0.42) IGF1RHRH3
SCHEMBL1791410 0.77 IGF1R (0.42) IGF1RFGFR1KDR
SCHEMBL4558721 0.74 IGF1R (0.78) IGF1R
SCHEMBL1788460 0.73 IGF1R (0.51) IGF1R
SCHEMBL4471578 0.71 IGF1R (0.41) IGF1RHRH3
SCHEMBL1791206 0.70 IGF1R (0.61) IGF1R
SCHEMBL4457348 0.70 HRH3 (0.35) IGF1RHRH3
SCHEMBL4457341 0.70 SLC5A7 (0.44) IGF1RHRH3
SCHEMBL4461468 0.66 PTPN1 (0.47) IGF1RHRH3

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-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 claimed
US-20090232828-A1 Methods of Using IGFIR and ABL Kinase Modulators EXELIXIS, INC. (US) 2009-09-17 US claimed
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 claimed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 EP disclosed
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP disclosed
EP-2139483-B1 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-09-18 EP disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 US disclosed
EP-2139484-B1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2013-07-17 EP 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-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-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 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-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

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-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 IGF1R 1/4885HRH3 1800/4885EGFR 20/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K IGF1R 1668/4885HRH3 2769/4885EGFR 1340/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K IGF1R 1610/4885HRH3 2273/4885EGFR 2743/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS IGF1R 2279/4885HRH3 2226/4885EGFR 60/4885
US-20090232828-A1 Methods of Using IGFIR and ABL Kinase Modulators IGF1R, ABL2, ABL1 IGF1R 1/4885HRH3 1900/4885EGFR 14/4885

“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.