SCHEMBL1792170

SCHEMBL1792170

CC(C)c1cc(CNc2nc(N)c(-c3cc(C4CC4)[nH]n3)c(N3CCNCC3)n2)on1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.63
BMPR1B O00238 1/20 0.53
PLK4 O00444 1/20 0.53
AURKA O14965 1/20 0.53
EPHB6 O15197 1/20 0.53
STK10 O94804 1/20 0.53
PRKD3 O94806 1/20 0.53
PAK4 O96013 1/20 0.53
ABL1 P00519 1/20 0.53
NTRK1 P04629 1/20 0.53
INSR P06213 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
YES1 P07947 1/20 0.53
LYN P07948 1/20 0.53
RET P07949 1/20 0.53
HCK P08631 1/20 0.53
BCR P11274 1/20 0.53
FGFR1 P11362 1/20 0.53
SRC P12931 1/20 0.53

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
SCHEMBL1791389 0.88 IGF1R (0.66) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL1792049 0.82 IGF1R (0.65) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL2320624 0.81 IGF1R (0.54) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL1791491 0.80 IGF1R (0.64) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL1790709 0.80 IGF1R (0.55) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL1792868 0.79 IGF1R (0.65) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL1788516 0.79 IGF1R (0.67) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL4099567 0.79 IGF1R (0.65) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL1795880 0.78 IGF1R (0.66) IGF1RBMPR1BPLK4AURKAEPHB6
SCHEMBL1793018 0.78 IGF1R (0.65) IGF1RBMPR1BPLK4AURKAEPHB6

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 16 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-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
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-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

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 IGF1R 1/4885BMPR1B 585/4885PLK4 3139/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K IGF1R 1668/4885BMPR1B 3709/4885PLK4 7/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K IGF1R 1610/4885BMPR1B 4135/4885PLK4 19/4885
US-20090232828-A1 Methods of Using IGFIR and ABL Kinase Modulators IGF1R, ABL2, ABL1 IGF1R 1/4885BMPR1B 980/4885PLK4 1493/4885

“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.