SCHEMBL391545

SCHEMBL391545

CC1(C)OB(c2cnc3c(c2)NC(=O)CO3)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.42
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MMP12 P39900 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
PARP1 P09874 1/20 0.33
MGLL Q99685 1/20 0.33
ALPL P05186 1/20 0.33
DGAT1 O75907 2/20 0.32
AAK1 Q2M2I8 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL15333602 0.78 GSK3A (0.38) NR3C2GSK3AGSK3BMMP12CYP11B1
SCHEMBL15552538 0.77 MAP4K1 (0.35) GSK3AGSK3BPDGFRBKDRALPL
SCHEMBL21385007 0.76 NR3C2 (0.37) NR3C2MMP12PARP1MGLL
SCHEMBL21493472 0.76 NR3C2 (0.39) NR3C2MMP12PARP1MGLLPDE3B
SCHEMBL1190598 0.75 MMP12 (0.53) NR3C2MMP12CYP11B1CYP11B2PARP1
SCHEMBL30905978 0.75 MMP12 (0.57) NR3C2MMP12PARP1PDE3BPDE3A
SCHEMBL426743 0.75 MMP12 (0.57) NR3C2MMP12PARP1PDE3BPDE3A
SCHEMBL3490246 0.74 NR3C2 (0.40) NR3C2MMP12PARP1PDE3BPDE3A
SCHEMBL3489800 0.74 PGR (0.40) NR3C2MMP12PARP1PDE3BPDE3A
SCHEMBL15551808 0.74 CYP11B2 (0.37) GSK3AGSK3BCYP11B1CYP11B2PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 US disclosed
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 (9 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 NR3C2 1439/4885GSK3A 1333/4885GSK3B 1151/4885
US-10034884-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors MTOR, RICTOR, RPTOR NR3C2 1439/4885GSK3A 1333/4885GSK3B 1151/4885
US-20120142673-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR NR3C2 1439/4885GSK3A 1333/4885GSK3B 1151/4885
US-20160067258-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR NR3C2 1439/4885GSK3A 1333/4885GSK3B 1151/4885
US-20110124638-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR NR3C2 1378/4885GSK3A 1251/4885GSK3B 1087/4885
US-20080081809-A1 Novel Compounds SLC10A1, ABCB11, PKD1 NR3C2 170/4885GSK3A 3032/4885GSK3B 3092/4885
US-20140135315-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR NR3C2 1439/4885GSK3A 1333/4885GSK3B 1151/4885
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN NR3C2 404/4885GSK3A 2794/4885GSK3B 3051/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A NR3C2 30/4885GSK3A 2430/4885GSK3B 1798/4885

“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.