SCHEMBL4592592

SCHEMBL4592592

CCOC(=O)c1cnc(O)nc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.72
NFKB1 P19838 6/20 0.55
JUN P05412 5/20 0.55
NFKB2 Q00653 5/20 0.55
RELA Q04206 5/20 0.55
ATF1 P18846 1/20 0.49
IDO1 P14902 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
FOS P01100 3/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.45
HSP90AA1 P07900 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ACACB O00763 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
Water SCHEMBL4592788 0.99 KDM4E (0.71) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL8394555 0.89 KDM4E (0.58) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL4900420 0.87 KDM4E (0.55) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL2119119 0.87 KDM4E (0.74) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL8543216 0.85 KDM4E (0.72) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL25415290 0.84 KDM4E (0.71) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL30617280 0.84 KDM4E (0.71) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL1549128 0.84 KDM4E (0.71) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL3922065 0.84 KDM4E (1.00) KDM4ENFKB1JUNNFKB2RELA
SCHEMBL4592101 0.83 MAPT (0.57) KDM4ENFKB1JUNNFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101056863-B Process for the production of pyrimidine-5-carboxylates LONZA AG 2011-04-13 CN disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-20080119651-A1 one pot reaction without isolating intermediates; reacting oxoalkonate with urea, trimethyl orthoformate in methanol or ethanol to yield a 2-acyl-3-ureidoacrylate, reacting intermediate with 2-hydroxypyrimidine-5-carboxylate in presence of alkali alkoxide, convering it to halo compds. with PO2Cl or SOCl2 LONZA AG (CH) 2008-05-22 US disclosed
EP-1809609-B1 PROCESS FOR THE PRODUCTION OF PYRIMIDINE-5-CARBOXYLATES LONZA AG (CH) 2008-04-16 EP disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed
CN-101056863-A Process for the production of pyrimidine-5-carboxylates LONZA AG (CH) 2007-10-17 CN disclosed
EP-1809609-A1 PROCESS FOR THE PRODUCTION OF PYRIMIDINE-5-CARBOXYLATES LONZA AG (CH) 2007-07-25 EP disclosed
US-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-06-22 US disclosed
WO-2006048297-A1 PROCESS FOR THE PRODUCTION OF PYRIMIDINE-5-CARBOXYLATES LONZA AG (CH) 2006-05-11 WO disclosed
CN-1742013-A Pyrazolopyrimidine compound and method for producing the same TANABE SEIYAKU CO (JP) 2006-03-01 CN disclosed
EP-1585481-A2 PYRAZOLOPYRIMIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2005-10-19 EP disclosed
WO-2004064721-A2 A PYRAZOLOPYRIMIDINE COMPOUND AND A PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-08-05 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 (2 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-20080119651-A1 one pot reaction without isolating intermediates; reacting oxoalkonate with urea, trimethyl orthoformate in methanol or ethanol to yield a 2-acyl-3-ureidoacrylate, reacting intermediate with 2-hydroxypyrimidine-5-carboxylate in presence of alkali alkoxide, convering it to halo compds. with PO2Cl or SOCl2 HPD, DCTD, POLD1 KDM4E 1815/4885NFKB1 2937/4885JUN 3135/4885
US-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same KCNJ2, KCNN2, KCNH2 KDM4E 688/4885NFKB1 2603/4885JUN 1890/4885

“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.