SCHEMBL391998

SCHEMBL391998

CC1(C)OB(c2cnc3nc[nH]c(=O)c3c2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
IP6K1 Q92551 1/20 0.43
SRC P12931 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ADORA2A P29274 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
XDH P47989 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
TMIGD3 P0DMS9 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL392220 0.80 GSK3A (0.38) GSK3AGSK3BIP6K1CHEK1PIM1
SCHEMBL8212169 0.78 PARP1 (0.54) IP6K1SMN1; SMN2PARP1CHEK1PIM1
SCHEMBL30016751 0.75 PARP1 (0.54) IP6K1SMN1; SMN2PRMT5WDR77ALDH1A1
SCHEMBL393560 0.75 PARP1 (0.54) IP6K1SMN1; SMN2PRMT5WDR77ALDH1A1
SCHEMBL29382832 0.71 GSK3A (0.57) GSK3AGSK3BPRMT5WDR77CHEK1
SCHEMBL18239676 0.71 GSK3A (0.39) GSK3AGSK3BPDGFRBKDRLPL
SCHEMBL3225882 0.69 PRMT5 (0.40) GSK3AGSK3BPRMT5WDR77LPL
SCHEMBL2966812 0.69 GSK3A (0.43) GSK3AGSK3BPRMT5WDR77PDGFRB
SCHEMBL21989355 0.69 GSK3A (0.38) GSK3AGSK3BPRMT5WDR77PDGFRB
SCHEMBL2171645 0.69 LPL (0.42) PRMT5WDR77PARP1CHEK1LPL

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 GSK3A 1333/4885GSK3B 1151/4885IP6K1 251/4885
US-10034884-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors MTOR, RICTOR, RPTOR GSK3A 1333/4885GSK3B 1151/4885IP6K1 251/4885
US-20120142673-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR GSK3A 1333/4885GSK3B 1151/4885IP6K1 251/4885
US-20160067258-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR GSK3A 1333/4885GSK3B 1151/4885IP6K1 251/4885
US-20110124638-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR GSK3A 1251/4885GSK3B 1087/4885IP6K1 223/4885
US-20080081809-A1 Novel Compounds SLC10A1, ABCB11, PKD1 GSK3A 3032/4885GSK3B 3092/4885IP6K1 2161/4885
US-20140135315-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR GSK3A 1333/4885GSK3B 1151/4885IP6K1 251/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A GSK3A 2430/4885GSK3B 1798/4885IP6K1 1730/4885

“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.