SCHEMBL152773

SCHEMBL152773

CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(-c5nnc[nH]5)nc4C)nc32)CC1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.75
RPTOR Q8N122 16/20 0.75
MLST8 Q9BVC4 16/20 0.75
PIK3CA P42336 9/20 0.55
CSF1R P07333 2/20 0.55
PIK3CD O00329 1/20 0.55
FLT4 P35916 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55
KCNH2 Q12809 1/20 0.55
PIK3C3 Q8NEB9 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
PRKDC P78527 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL29522097 1.00 MTOR (0.75) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL152774 1.00 MTOR (0.75) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL15176861 1.00 MTOR (0.75) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL153159 0.95 MTOR (0.69) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL19639034 0.95 MTOR (0.69) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL156538 0.95 MTOR (0.69) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL155594 0.95 MTOR (0.69) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL154341 0.95 MTOR (0.69) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL29521870 0.95 MTOR (0.69) MTORRPTORMLST8PIK3CACSF1R
SCHEMBL29522476 0.95 MTOR (0.69) MTORRPTORMLST8PIK3CACSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180369241-A1 TREATMENT OF CANCER WITH DNAPK INHIBITORS CELGENE CORP (US) 2018-12-27 US claimed
US-20170095475-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2017-04-06 US claimed
US-20170027932-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2017-02-02 US claimed
EP-2358718-B1 MTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE MTOR/P13K/AKT PATHWAY SIGNAL PHARM LLC (US) 2017-01-18 EP claimed
EP-2493472-B1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARM LLC (US) 2016-12-07 EP claimed
US-9415049-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-16 US claimed
EP-2740733-B1 3,4-Dihydropyrazino[2,3-b]pyrazin-2(1H)-one compounds as MTOR kinase inhibitors for oncology indications and diseases associated with the MTOR/P13K/AKT pathway SIGNAL PHARM LLC (US) 2015-12-30 EP claimed
EP-2908814-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2015-08-26 EP claimed
EP-2909627-A2 INHIBITION OF PHOSPHORYLATION OF PRAS40, GSK3-BETA OR P70S6K1 AS A MARKER FOR TOR KINASE INHIBITORY ACTIVITY Signal Pharmaceuticals, LLC (US) 2015-08-26 EP claimed
US-9079900-B2 Methods of synthesis and purification of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2015-07-14 US claimed
US-20140155593-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC (US) 2014-06-05 US claimed
WO-2014066125-A2 INHIBITION OF PHOSPHORYLATION OF PRAS40, GSK3-BETA OR P70S6K1 AS A MARKER FOR TOR KINASE INHIBITORY ACTIVITY SIGNAL PHARMACEUTICALS, LLC (US) 2014-05-01 WO claimed
WO-2014062878-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2014-04-24 WO claimed
US-20130245254-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC (US) 2013-09-19 US claimed
US-8492381-B2 Pyrazino[2,3-b]pyrazine mTOR kinase inhibitor for oncology indications and diseases associated with the mTOR/PI3K/Akt pathway SIGNAL PHARMACEUTICALS, LLC (US) 2013-07-23 US claimed
US-20120071658-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITOR FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY PERRIN-NINKOVIC SOPHIE (US) 2012-03-22 US claimed
US-8110578-B2 Pyrazino[2,3-b]pyrazine mTOR kinase inhibitors for oncology indications and diseases associated with the mTOR/PI3K/Akt pathway SIGNAL PHARMACEUTICALS, LLC (US) 2012-02-07 US claimed
US-20120028972-A1 BIOMARKER ASSAYS FOR DETECTING OR MEASURING INHIBITION OF TOR KINASE ACTIVITY SIGNAL PHARMACEUTICALS, LLC 2012-02-02 US claimed
US-20110137028-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-06-09 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20180369241-A1 TREATMENT OF CANCER WITH DNAPK INHIBITORS DKK1, WNT1, DCK MTOR 403/4885RPTOR 2148/4885MLST8 3030/4885
US-20170027932-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR MTOR 1/4885RPTOR 6/4885MLST8 93/4885
US-20120028972-A1 BIOMARKER ASSAYS FOR DETECTING OR MEASURING INHIBITION OF TOR KINASE ACTIVITY MTOR, RPTOR, ULK1 MTOR 1/4885RPTOR 2/4885MLST8 35/4885
US-20120071658-A1 PYRAZINO[2,3-b]PYRAZINE mTOR KINASE INHIBITOR FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 78/4885
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 33/4885
US-20110137028-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS AGER, GPR119, REL MTOR 595/4885RPTOR 478/4885MLST8 2577/4885
US-20130245254-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS AGER, GPR119, REL MTOR 595/4885RPTOR 478/4885MLST8 2577/4885
US-20170095475-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MTOR 3624/4885RPTOR 3916/4885MLST8 1475/4885
US-20140155593-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS AGER, GPR119, REL MTOR 595/4885RPTOR 478/4885MLST8 2577/4885

“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.