SCHEMBL481722

SCHEMBL481722

COc1cc(-c2cnc3[nH]c(=O)n(CC4CCOCC4)c3n2)cc(OC)c1OC

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 6/20 0.87
MTOR P42345 13/20 0.66
RICTOR Q6R327 1/20 0.62
RPTOR Q8N122 1/20 0.62
MAPKAP1 Q9BPZ7 1/20 0.62
MLST8 Q9BVC4 1/20 0.62
PIK3CA P42336 1/20 0.61
FYN P06241 1/20 0.59

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
SCHEMBL721899 0.93 MAP3K11 (1.00) MAP3K11MTORPIK3CAFYN
SCHEMBL720866 0.82 MAP3K11 (1.00) MAP3K11MTORPIK3CA
SCHEMBL724039 0.81 MAP3K11 (0.78) MAP3K11MTORFYN
SCHEMBL481580 0.81 MTOR (0.73) MAP3K11MTORRICTORRPTORMAPKAP1
SCHEMBL481705 0.81 MTOR (0.70) MAP3K11MTORRICTORRPTORMAPKAP1
SCHEMBL482031 0.80 MTOR (0.76) MAP3K11MTORRICTORRPTORMAPKAP1
SCHEMBL722057 0.80 MAP3K11 (1.00) MAP3K11MTORRICTORRPTORMAPKAP1
SCHEMBL481511 0.79 MTOR (1.00) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL481675 0.79 MTOR (0.74) MAP3K11MTORRICTORRPTORMAPKAP1
SCHEMBL481514 0.79 MTOR (0.76) MAP3K11MTORRICTORRPTORMAPKAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US claimed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP claimed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US claimed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP claimed
US-20230338370-A1 Treatment of Cancer with TOR Kinase Inhibitors SIGNAL PHARM LLC (US) 2023-10-26 US disclosed
EP-3659599-B1 1-ETHYL-7-(2-METHYL-6-(1H-1,2,4-TRIAZOL-3-YL)PYRIDIN-3-YL)-3,4-DIHYDROPYRAZINO[2,3-B]PYRAZIN-2(1H)-ONE FOR USE IN THE TREATMENT OF GLIOBLASTOMA MULTIFORME SIGNAL PHARM LLC (US) 2022-12-21 EP disclosed
EP-3466423-B1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2021-07-28 EP disclosed
EP-3659599-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2020-06-03 EP disclosed
EP-2768500-B1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2019-08-21 EP disclosed
EP-2817029-B1 METHODS FOR TREATING NON-SMALL CELL LUNG CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY SIGNAL PHARM LLC (US) 2019-07-10 EP disclosed
EP-3466423-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2019-04-10 EP disclosed
EP-2825169-B1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2018-05-09 EP disclosed
US-20130225518-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY SIGNAL PHARMACEUTICALS, LLC (US) 2013-08-29 US disclosed
US-20130158023-A1 IDENTIFICATION OF GENE EXPRESSION AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS SIGNAL PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
WO-2013059396-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-04-25 WO disclosed
US-20130102613-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-04-25 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110257167-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC 2011-10-20 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP 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 (6 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-20110257167-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS STK11, STK16, STK10 MAP3K11 94/4885MTOR 11/4885RICTOR 97/4885
US-20230338370-A1 Treatment of Cancer with TOR Kinase Inhibitors MTOR, TTK, BRCA1 MAP3K11 41/4885MTOR 1/4885RICTOR 10/4885
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA MAP3K11 44/4885MTOR 138/4885RICTOR 1538/4885
US-20130225518-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY DCK, DTYMK, MTOR MAP3K11 193/4885MTOR 3/4885RICTOR 146/4885
US-20130158023-A1 IDENTIFICATION OF GENE EXPRESSION AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS STK16, STK10, STK11 MAP3K11 119/4885MTOR 25/4885RICTOR 319/4885
US-20130102613-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR MAP3K11 82/4885MTOR 1/4885RICTOR 3/4885

“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.