SCHEMBL393863

SCHEMBL393863

CCOc1ncc(B(O)O)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPK8 P45983 6/20 0.34
MAPK9 P45984 5/20 0.34
MAPK10 P53779 3/20 0.34
PRKD3 O94806 2/20 0.34
PRKD2 Q9BZL6 2/20 0.34
MAP4K4 O95819 1/20 0.34
MAP4K2 Q12851 1/20 0.34
PKN2 Q16513 1/20 0.34
STK17A Q9UEE5 1/20 0.34
SRC P12931 1/20 0.33

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
SCHEMBL29951747 1.00 KDM4E (0.37) KDM4EMAPTTDP1GAAL3MBTL1
SCHEMBL389682 0.84 GAA (0.40) KDM4EGAALMNACYP1A2CYP3A4
SCHEMBL391293 0.80 LMNA (0.43) LMNACYP11B1CYP11B2MAPK8MAPK9
SCHEMBL13678427 0.77 KDM4E (0.40) KDM4EMAPTTDP1GAAL3MBTL1
SCHEMBL16734396 0.77 SLC13A5 (0.33) MAPTGAAMAPK1
SCHEMBL31032949 0.77 HPGD (0.33) MAPTGAAHSD17B10
SCHEMBL20738207 0.76 MAPT (0.40) KDM4EMAPTTDP1GAAL3MBTL1
SCHEMBL14659133 0.76 SYK (0.31) L3MBTL1
SCHEMBL17776991 0.76 KDM4E (0.40) KDM4EMAPTTDP1GAAL3MBTL1
SCHEMBL13514630 0.76 KDM4E (0.40) KDM4EMAPTTDP1GAAL3MBTL1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034884-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2018-07-31 US disclosed
US-20170281637-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2017-10-05 US disclosed
US-9717736-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2017-08-01 US disclosed
EP-2057156-B1 2-METHYLMORPHOLINE PYRIDO-,PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS KUDOS PHARM LTD (GB) 2017-02-01 EP disclosed
US-20160067258-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARM LTD (GB) 2016-03-10 US disclosed
US-9102670-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2015-08-11 US disclosed
US-20140135315-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2014-05-15 US disclosed
US-8435985-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors MENEAR KEITH (GB) 2013-05-07 US disclosed
US-20120142673-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2012-06-07 US disclosed
US-8101602-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors Kudos Pharmaceuticals, Ltd. (GB) 2012-01-24 US disclosed
US-20110124638-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2011-05-26 US disclosed
US-7902189-B2 antitumor agent, anticarcinogenic agents; 7-Chloro-2-((2S,6R)-2,6-dimethyl-morpholin-4-yl)-4-morpholin-4-yl-pyrido[2,3-d]pyrimidine; inhibitors of mTOR kinase ASTRAZENECA AB (SE) 2011-03-08 US disclosed
EP-2057156-A1 2-METHYLMORPHOLINE PYRIDO-, PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Kudos Pharmaceuticals Limited (GB) 2009-05-13 EP disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
US-20080081809-A1 Novel Compounds KUDOS PHARMACEUTICALS LIMITED (GB) 2008-04-03 US disclosed
WO-2008023161-A1 2-METHYLMORPHOLINE PYRIDO-, PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-02-28 WO 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 (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-20170281637-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR KDM4E 1038/4885MAPT 2618/4885TDP1 3070/4885
US-10034884-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors MTOR, RICTOR, RPTOR KDM4E 1038/4885MAPT 2618/4885TDP1 3070/4885
US-20120142673-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR KDM4E 1038/4885MAPT 2618/4885TDP1 3070/4885
US-20160067258-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR KDM4E 1038/4885MAPT 2618/4885TDP1 3070/4885
US-20110124638-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR KDM4E 987/4885MAPT 2558/4885TDP1 2922/4885
US-20080081809-A1 Novel Compounds SLC10A1, ABCB11, PKD1 KDM4E 2935/4885MAPT 3527/4885TDP1 3441/4885
US-20140135315-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR KDM4E 1038/4885MAPT 2618/4885TDP1 3070/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A KDM4E 2645/4885MAPT 4196/4885TDP1 3174/4885

“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.