SCHEMBL313328

SCHEMBL313328

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.38
MAPT P10636 2/20 0.38
ADORA3 P0DMS8 1/20 0.36
KDM4E B2RXH2 5/20 0.35
HDAC1 Q13547 3/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
TOP1 P11387 1/20 0.34
MAPK1 P28482 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
KDM1A O60341 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) MAPTADORA3KDM4EALDH1A1HPGD
SCHEMBL313329 0.80 KDM4E (0.39) MAPTADORA3KDM4EALDH1A1HPGD
SCHEMBL1348529 0.77 TOP1 (0.39) MAPTADORA3KDM4EALDH1A1HPGD
SCHEMBL312633 0.76 POLB (0.54) RXFP1MAPTKDM4EALDH1A1HPGD
SCHEMBL311925 0.75 KDM4E (0.57) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL312753 0.74 CTSS (0.43) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1924870 0.74 KIF11 (0.44) MAPTKDM4EALDH1A1HPGDTOP1
SCHEMBL1346693 0.74 TOP1 (0.37) MAPTADORA3KDM4EALDH1A1HPGD
SCHEMBL1349096 0.70 CTSS (0.35) MAPTADORA3KDM4EALDH1A1HPGD
SCHEMBL1924658 0.70 PSEN1 (0.37) MAPTADORA3KDM4EHPGDHSD17B10

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 RXFP1 454/4885MAPT 1112/4885ADORA3 36/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 RXFP1 454/4885MAPT 1112/4885ADORA3 36/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 RXFP1 300/4885MAPT 1442/4885ADORA3 136/4885

“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.