SCHEMBL136928

SCHEMBL136928

COc1cccc(CN2CC(=O)Nc3ncc(-c4ccc(O)cc4)nc32)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.58
PIK3CA P42336 4/20 0.49
CD74 P04233 1/20 0.49
MIF P14174 1/20 0.49
RPTOR Q8N122 4/20 0.45
MLST8 Q9BVC4 4/20 0.45
TNIK Q9UKE5 3/20 0.44
FYN P06241 1/20 0.43
RICTOR Q6R327 2/20 0.42
MAPKAP1 Q9BPZ7 2/20 0.42
CSF1R P07333 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
PTK2B Q14289 1/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 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
SCHEMBL29522322 1.00 MTOR (0.58) MTORPIK3CACD74MIFRPTOR
SCHEMBL482116 0.83 MEN1 (0.43) TNIKMEN1ALDH1A1KMT2AROCK2
SCHEMBL20892260 0.82 MTOR (0.54) MTORCD74MIFTNIKFYN
SCHEMBL138490 0.80 MTOR (0.58) MTORPIK3CACD74MIFRPTOR
SCHEMBL29522354 0.80 MTOR (0.58) MTORPIK3CACD74MIFRPTOR
SCHEMBL19956323 0.76 MTOR (0.54) MTORCD74MIFTNIKFYN
SCHEMBL138866 0.73 MTOR (0.63) MTORPIK3CARPTORMLST8TNIK
SCHEMBL29522121 0.73 MTOR (0.63) MTORPIK3CARPTORMLST8TNIK
SCHEMBL20017654 0.71 MTOR (0.47) MTORPIK3CARPTORMLST8TNIK
SCHEMBL29522599 0.71 MTOR (0.42) MTORPIK3CARPTORMLST8TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493472-B1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARM LLC (US) 2016-12-07 EP claimed
US-8569494-B2 Methods of synthesis and purification of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-10-29 US claimed
EP-2493472-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS Signal Pharmaceuticals, LLC (US) 2012-09-05 EP claimed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP claimed
EP-2358718-A1 MTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE MTOR/P13K/AKT PATHWAY Signal Pharmaceuticals, LLC (US) 2011-08-24 EP claimed
US-20110137028-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-06-09 US claimed
WO-2011053518-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC (US) 2011-05-05 WO claimed
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC 2010-08-26 US claimed
WO-2010062571-A1 MTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE MTOR/P13K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC (US) 2010-06-03 WO claimed
US-20230338370-A1 Treatment of Cancer with TOR Kinase Inhibitors SIGNAL PHARM LLC (US) 2023-10-26 US disclosed
US-20230338370-A1 Treatment of Cancer with TOR Kinase Inhibitors SIGNAL PHARM LLC (US) 2023-10-26 US disclosed
EP-3660020-B1 PROCESS FOR THE SYNTHESIS OF MTOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2023-07-05 EP disclosed
EP-3660020-B1 PROCESS FOR THE SYNTHESIS OF MTOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2023-07-05 EP disclosed
US-20230119470-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY SIGNAL PHARM LLC (US) 2023-04-20 US disclosed
WO-2010062571-A1 MTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE MTOR/P13K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC (US) 2010-06-03 WO disclosed
WO-2010062571-A1 MTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE MTOR/P13K/AKT PATHWAY SIGNAL PHARMACEUTICALS, LLC (US) 2010-06-03 WO disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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 (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-20230119470-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CA 6/4885CD74 3902/4885
US-20230338370-A1 Treatment of Cancer with TOR Kinase Inhibitors MTOR, TTK, BRCA1 MTOR 1/4885PIK3CA 4/4885CD74 4596/4885
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CA 10/4885CD74 3528/4885
US-20110137028-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS AGER, GPR119, REL MTOR 595/4885PIK3CA 2787/4885CD74 3817/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 MTOR 73/4885PIK3CA 221/4885CD74 569/4885

“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.