SCHEMBL138490

SCHEMBL138490

COc1cccc(CN2C(=O)CNc3ncc(-c4ccc(O)cc4)nc32)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.58
PIK3CA P42336 4/20 0.49
RPTOR Q8N122 3/20 0.49
MLST8 Q9BVC4 3/20 0.49
CD74 P04233 1/20 0.49
MIF P14174 1/20 0.49
CMA1 P23946 1/20 0.43
TNIK Q9UKE5 1/20 0.43
FYN P06241 1/20 0.43
AADAT Q8N5Z0 1/20 0.41
AURKA O14965 1/20 0.40
GRK2 P25098 1/20 0.40
ROCK1 Q13464 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
ROCK2 O75116 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL29522354 1.00 MTOR (0.58) MTORPIK3CARPTORMLST8CD74
SCHEMBL20017654 0.92 MTOR (0.47) MTORPIK3CARPTORMLST8CMA1
SCHEMBL482032 0.83 CMA1 (0.48) MTORPIK3CARPTORMLST8CMA1
SCHEMBL136928 0.80 MTOR (0.58) MTORPIK3CARPTORMLST8CD74
SCHEMBL29522322 0.80 MTOR (0.58) MTORPIK3CARPTORMLST8CD74
SCHEMBL28760862 0.80 CMA1 (0.43) MTORPIK3CARPTORMLST8CMA1
SCHEMBL19956323 0.80 MTOR (0.54) MTORCD74MIFTNIKFYN
SCHEMBL20892260 0.76 MTOR (0.54) MTORCD74MIFTNIKFYN
SCHEMBL28111872 0.75 CD74 (0.52) MTORCD74MIFCMA1AADAT
SCHEMBL137477 0.73 MTOR (0.63) MTORPIK3CARPTORMLST8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131552-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY Signal Pharmaceuticals, LLC (US) 2017-02-22 EP claimed
EP-3131550-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY Signal Pharmaceuticals, LLC (US) 2017-02-22 EP claimed
US-20170027932-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2017-02-02 US claimed
EP-2493472-B1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARM LLC (US) 2016-12-07 EP claimed
EP-2986318-A1 COMBINATION THERAPY COMPRISING A TOR KINASE INHIBITOR AND AN IMID COMPOUND FOR TREATING CANCER Signal Pharmaceuticals, LLC (US) 2016-02-24 EP claimed
EP-2986299-A1 TREATMENT OF CANCER WITH DIHYDROPYRAZINO-PYRAZINES Signal Pharmaceuticals, LLC (US) 2016-02-24 EP claimed
EP-2986322-A1 COMBINATION THERAPY COMPRISING A TOR KINASE INHIBITOR AND A 5-SUBSTITUTED QUINAZOLINONE COMPOUND FOR TREATING CANCER Signal Pharmaceuticals, LLC (US) 2016-02-24 EP claimed
EP-2986297-A1 TREATMENT OF CANCER WITH DIHYDROPYRAZINO-PYRAZINES Signal Pharmaceuticals, LLC (US) 2016-02-24 EP claimed
EP-2986298-A1 TREATMENT OF CANCER WITH DIHYDROPYRAZINO-PYRAZINES Signal Pharmaceuticals, LLC (US) 2016-02-24 EP claimed
EP-2986321-A1 COMBINATION THERAPY COMPRISING A TOR KINASE INHIBITOR AND A CYTIDINE ANALOG FOR TREATING CANCER Signal Pharmaceuticals, LLC (US) 2016-02-24 EP claimed
WO-2014172436-A1 COMBINATION THERAPY COMPRISING A TOR KINASE INHIBITOR AND A 5-SUBSTITUTED QUINAZOLINONE COMPOUND FOR TREATING CANCER SIGNAL PHARMACEUTICALS, LLC (US) 2014-10-23 WO claimed
US-20130245254-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC (US) 2013-09-19 US claimed
EP-2493472-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS Signal Pharmaceuticals, LLC (US) 2012-09-05 EP 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-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

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-20170027932-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR MTOR 1/4885PIK3CA 9/4885RPTOR 6/4885
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA MTOR 138/4885PIK3CA 590/4885RPTOR 1099/4885
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CA 10/4885RPTOR 3/4885
US-20110137028-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS AGER, GPR119, REL MTOR 595/4885PIK3CA 2787/4885RPTOR 478/4885
US-20130245254-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS AGER, GPR119, REL MTOR 595/4885PIK3CA 2787/4885RPTOR 478/4885

“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.