SCHEMBL11344449

SCHEMBL11344449

COc1cc(Nc2ncc(Br)c(Nc3cc(C4CC4)n[nH]3)n2)cc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.73
NTRK1 P04629 1/20 0.41

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
SCHEMBL15256279 0.89 IGF1R (0.58) IGF1RNTRK1
SCHEMBL14161939 0.89 IGF1R (0.58) IGF1RNTRK1
SCHEMBL15095996 0.86 IGF1R (0.62) IGF1RNTRK1
SCHEMBL12439775 0.85 IGF1R (0.59) IGF1RNTRK1
SCHEMBL11340826 0.83 IGF1R (0.69) IGF1RNTRK1
SCHEMBL11349278 0.83 IGF1R (0.58) IGF1RNTRK1
SCHEMBL11340156 0.82 IGF1R (0.71) IGF1RNTRK1
SCHEMBL12439355 0.82 IGF1R (0.57) IGF1RNTRK1
SCHEMBL15580750 0.80 IGF1R (0.55) IGF1R
SCHEMBL11344357 0.79 IGF1R (0.67) IGF1R

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 13 patents. 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-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
EP-1841760-B1 PYRIMIDINE DERIVATIVES AS KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2011-08-10 EP 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
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-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 1/4885NTRK1 228/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K IGF1R 1668/4885NTRK1 1803/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K IGF1R 1610/4885NTRK1 2544/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS IGF1R 2279/4885NTRK1 1951/4885
US-20090232828-A1 Methods of Using IGFIR and ABL Kinase Modulators IGF1R, ABL2, ABL1 IGF1R 1/4885NTRK1 231/4885

“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.