SCHEMBL102458

SCHEMBL102458

N/C(=N\O)c1ccccc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRIN2B Q13224 4/20 0.41
KCNK3 O14649 4/20 0.40
KCNK9 Q9NPC2 4/20 0.40
GRIN1 Q05586 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD11B1 P28845 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
F2R P25116 1/20 0.36
CLK1 P49759 1/20 0.36
MGLL Q99685 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
SCHEMBL102459 1.00 GAA (0.42) GAALMNAL3MBTL1GRIN2BKCNK3
SCHEMBL2774058 0.88 NPSR1 (0.44) GAALMNAGRIN2BKCNK3KCNK9
SCHEMBL2774056 0.88 NPSR1 (0.44) GAALMNAGRIN2BKCNK3KCNK9
SCHEMBL23761699 0.79 ANO1 (0.44) GAAL3MBTL1KCNK3KCNK9ALDH1A1
SCHEMBL9951788 0.79 KCNK3 (0.40) GAAL3MBTL1GRIN2BKCNK3KCNK9
SCHEMBL1106365 0.79 KCNK3 (0.40) GAAL3MBTL1GRIN2BKCNK3KCNK9
SCHEMBL1179288 0.79 KCNK3 (0.40) GAAL3MBTL1GRIN2BKCNK3KCNK9
SCHEMBL11831818 0.78 NPSR1 (0.40) GAALMNAL3MBTL1ALDH1A1RXFP1
SCHEMBL6893484 0.78 KCNK3 (0.42) GAAL3MBTL1GRIN2BKCNK3KCNK9
SCHEMBL3625287 0.78 KCNK3 (0.42) GAAGRIN2BKCNK3KCNK9GRIN1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-02-22 US disclosed
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-02-22 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
US-9688672-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2017-06-27 US disclosed
US-9688672-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2017-06-27 US disclosed
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2016-11-03 US disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20100305104-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA 2010-12-02 US disclosed
US-20100305104-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA 2010-12-02 US disclosed
US-20100305104-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA 2010-12-02 US disclosed
EP-2193126-A1 OXADIAZOLE DIARYL COMPOUNDS Merck Serono S.A. (CH) 2010-06-09 EP disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
WO-2009043890-A1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
WO-2009043890-A1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 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 (6 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-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A GAA 3425/4885LMNA 4424/4885L3MBTL1 1963/4885
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A GAA 3425/4885LMNA 4424/4885L3MBTL1 1963/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GAA 2249/4885LMNA 4715/4885L3MBTL1 4070/4885
US-20100305104-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB GAA 4556/4885LMNA 4666/4885L3MBTL1 3589/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 GAA 4335/4885LMNA 2585/4885L3MBTL1 4443/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 GAA 4335/4885LMNA 2585/4885L3MBTL1 4443/4885

“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.