SCHEMBL138930

SCHEMBL138930

O=C1CNc2ncc(-c3ccncc3)nc2N1CCC1CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.77
PIK3CA P42336 11/20 0.75
RPTOR Q8N122 10/20 0.73
MLST8 Q9BVC4 10/20 0.73
RICTOR Q6R327 2/20 0.51
MAPKAP1 Q9BPZ7 2/20 0.51

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
SCHEMBL29522249 0.90 MTOR (0.71) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138916 0.90 MTOR (0.71) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138473 0.90 MTOR (0.73) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522412 0.90 MTOR (0.73) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL137333 0.89 MTOR (0.73) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522678 0.89 MTOR (0.73) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138839 0.88 MTOR (0.72) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522000 0.88 MTOR (0.72) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL137347 0.87 MTOR (0.75) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL10272529 0.87 MTOR (0.77) MTORPIK3CARPTORMLST8RICTOR

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 184 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
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
US-20150174128-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-06-25 US 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
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
WO-2012016113-A1 BIOMARKER ASSAYS FOR DETECTING OR MEASURING INHIBITION OF TOR KINASE ACTIVITY SIGNAL PHARMACEUTICALS, LLC (US) 2012-02-02 WO 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
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

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

For each of this compound's patents that has machine-readable text (8 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 403/4885PIK3CA 631/4885RPTOR 2148/4885
US-20170027932-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR MTOR 1/4885PIK3CA 9/4885RPTOR 6/4885
US-20120028972-A1 BIOMARKER ASSAYS FOR DETECTING OR MEASURING INHIBITION OF TOR KINASE ACTIVITY MTOR, RPTOR, ULK1 MTOR 1/4885PIK3CA 18/4885RPTOR 2/4885
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
US-20150174128-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MTOR 3624/4885PIK3CA 1028/4885RPTOR 3916/4885
US-20170095475-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MTOR 3624/4885PIK3CA 1028/4885RPTOR 3916/4885

“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.