SCHEMBL138805

SCHEMBL138805

Cc1cc(-c2nc[nH]n2)c(F)cc1-c1cnc2c(n1)N([C@H]1CC[C@@H](O)CC1)C(=O)CN2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.53
MLST8 Q9BVC4 14/20 0.53
RPTOR Q8N122 13/20 0.53
PIK3CA P42336 9/20 0.51
CSF1R P07333 2/20 0.43
PIK3CD O00329 1/20 0.43
FLT4 P35916 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
KCNH2 Q12809 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
PRKDC P78527 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CYP2C8 P10632 1/20 0.30
CYP2C9 P11712 1/20 0.30
RICTOR Q6R327 1/20 0.30
MAPKAP1 Q9BPZ7 1/20 0.30

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
SCHEMBL153823 1.00 MTOR (0.53) MTORMLST8RPTORPIK3CACSF1R
SCHEMBL153822 1.00 MTOR (0.53) MTORMLST8RPTORPIK3CACSF1R
SCHEMBL29522210 1.00 MTOR (0.53) MTORMLST8RPTORPIK3CACSF1R
SCHEMBL138463 0.92 MTOR (0.43) MTORMLST8RPTORPIK3CACSF1R
SCHEMBL154238 0.91 MTOR (0.54) MTORMLST8RPTORPIK3CACSF1R
SCHEMBL800589 0.91 MTOR (0.54) MTORMLST8RPTORPIK3CACSF1R
SCHEMBL154237 0.91 MTOR (0.54) MTORMLST8RPTORPIK3CACSF1R
SCHEMBL138903 0.90 MTOR (0.53) MTORMLST8RPTORPIK3CACSF1R
SCHEMBL153659 0.86 MTOR (0.46) MTORMLST8RPTORPIK3CACSF1R
SCHEMBL153604 0.86 MTOR (0.46) MTORMLST8RPTORPIK3CACSF1R

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 126 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-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
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
US-20140155593-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC (US) 2014-06-05 US claimed
US-20130245254-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC (US) 2013-09-19 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
US-20230338370-A1 Treatment of Cancer with TOR Kinase Inhibitors SIGNAL PHARM LLC (US) 2023-10-26 US disclosed
EP-4218763-A1 1-ETHYL-7-(2-METHYL-6-(1H-1,2,4-TRIAZOL-3-YL)PYRIDIN-3-YL)-3,4-DIHYDROPYRAZINO[2,3-B]PYRAZIN-2(1H)-ONE FOR TREATING GLIOBLASTOMA MULTIFORME Signal Pharmaceuticals, LLC (US) 2023-08-02 EP disclosed
EP-3660020-B1 PROCESS FOR THE SYNTHESIS OF MTOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2023-07-05 EP disclosed
US-20110137028-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-06-09 US disclosed
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 disclosed
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 disclosed
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 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 (10 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 403/4885MLST8 3030/4885RPTOR 2148/4885
US-20230338370-A1 Treatment of Cancer with TOR Kinase Inhibitors MTOR, TTK, BRCA1 MTOR 1/4885MLST8 138/4885RPTOR 6/4885
US-20170027932-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR MTOR 1/4885MLST8 93/4885RPTOR 6/4885
US-20120028972-A1 BIOMARKER ASSAYS FOR DETECTING OR MEASURING INHIBITION OF TOR KINASE ACTIVITY MTOR, RPTOR, ULK1 MTOR 1/4885MLST8 35/4885RPTOR 2/4885
US-20100216781-A1 mTOR KINASE INHIBITORS FOR ONCOLOGY INDICATIONS AND DISEASES ASSOCIATED WITH THE mTOR/PI3K/AKT PATHWAY MTOR, RICTOR, RPTOR MTOR 1/4885MLST8 33/4885RPTOR 3/4885
US-20110137028-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS AGER, GPR119, REL MTOR 595/4885MLST8 2577/4885RPTOR 478/4885
US-20130245254-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS AGER, GPR119, REL MTOR 595/4885MLST8 2577/4885RPTOR 478/4885
US-20150174128-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MTOR 3624/4885MLST8 1475/4885RPTOR 3916/4885
US-20170095475-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MTOR 3624/4885MLST8 1475/4885RPTOR 3916/4885
US-20140155593-A1 METHODS OF SYNTHESIS AND PURIFICATION OF HETEROARYL COMPOUNDS AGER, GPR119, REL MTOR 595/4885MLST8 2577/4885RPTOR 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.