SCHEMBL138283

SCHEMBL138283

O=C1CNc2ncc(-c3c[nH]c4ncccc34)nc2N1CCC1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.61
RPTOR Q8N122 7/20 0.59
MLST8 Q9BVC4 7/20 0.59
PIK3CA P42336 6/20 0.59
CDC7 O00311 3/20 0.46
DBF4 Q9UBU7 2/20 0.46
RET P07949 1/20 0.45
CDK2 P24941 2/20 0.43
CDK9 P50750 2/20 0.43
DYRK1A Q13627 2/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
FLT3 P36888 1/20 0.43
CSNK1A1 P48729 1/20 0.43

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
SCHEMBL29522254 1.00 MTOR (0.61) MTORRPTORMLST8PIK3CACDC7
SCHEMBL138203 0.87 MTOR (0.67) MTORRPTORMLST8PIK3CAROCK2
SCHEMBL137048 0.83 MTOR (0.61) MTORRPTORMLST8PIK3CACDC7
SCHEMBL29522274 0.83 MTOR (0.61) MTORRPTORMLST8PIK3CACDC7
SCHEMBL138916 0.83 MTOR (0.71) MTORRPTORMLST8PIK3CA
SCHEMBL29522249 0.83 MTOR (0.71) MTORRPTORMLST8PIK3CA
SCHEMBL799973 0.82 MTOR (0.62) MTORRPTORMLST8PIK3CA
SCHEMBL29522244 0.81 MTOR (0.71) MTORRPTORMLST8PIK3CA
SCHEMBL138813 0.81 MTOR (0.71) MTORRPTORMLST8PIK3CA
SCHEMBL137220 0.80 MTOR (0.63) MTORRPTORMLST8PIK3CA

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 189 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
EP-3313403-A1 TREATMENT OF CANCER WITH DNAPK INHIBITORS Celgene Corporation (US) 2018-05-02 EP 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
WO-2016210046-A1 TREATMENT OF CANCER WITH DNAPK INHIBITORS CELGENE CORPORATION (US) 2016-12-29 WO 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-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
EP-2908814-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS 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
EP-2598885-A1 BIOMARKER ASSAYS FOR DETECTING OR MEASURING INHIBITION OF TOR KINASE ACTIVITY Signal Pharmaceuticals, LLC (US) 2013-06-05 EP claimed
EP-2493472-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS Signal Pharmaceuticals, LLC (US) 2012-09-05 EP 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
WO-2012016113-A1 BIOMARKER ASSAYS FOR DETECTING OR MEASURING INHIBITION OF TOR KINASE ACTIVITY SIGNAL PHARMACEUTICALS, LLC (US) 2012-02-02 WO 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 (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-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-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-20170095475-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MTOR 3624/4885RPTOR 3916/4885MLST8 1475/4885

“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.