SCHEMBL313329

SCHEMBL313329

NC(=NO)c1ncn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 7/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.36
PLAU P00749 1/20 0.35
TOP1 P11387 2/20 0.34
CASP1 P29466 2/20 0.34
ADORA2A P29274 1/20 0.34
MET P08581 1/20 0.34
GAA P10253 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
PARP1 P09874 1/20 0.33
GLA P06280 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 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
SCHEMBL312869 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL313328 0.80 RXFP1 (0.38) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL1348529 0.77 TOP1 (0.39) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL312633 0.76 POLB (0.54) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL311926 0.75 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL1346693 0.74 TOP1 (0.37) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL312753 0.74 CTSS (0.43) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL1924870 0.74 KIF11 (0.44) KDM4EALDH1A1HPGDTOP1MET
SCHEMBL1349096 0.70 CTSS (0.35) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL1924658 0.70 PSEN1 (0.37) KDM4EHPGDHSD17B10MAPK1TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349844-B2 Substituted pyrazolo [1,5-A] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GATTI MCARTHUR SILVIA (CH) 2012-02-16 US disclosed
US-8093263-B2 Substituted pyrazolo [1,5-a] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
EP-1934214-B1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-04-07 EP disclosed
US-20090143580-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS MCARTHUR SILVIA GATTI 2009-06-04 US disclosed
US-7504404-B2 Compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-03-17 US disclosed
EP-1934214-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039439-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. 2007-03-29 US 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 (3 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-20090143580-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 KDM4E 1714/4885ALDH1A1 1343/4885HPGD 2071/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 KDM4E 1714/4885ALDH1A1 1343/4885HPGD 2071/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 KDM4E 1308/4885ALDH1A1 1699/4885HPGD 3180/4885

“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.