SCHEMBL311925

SCHEMBL311925

N=C(NO)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.57
HSD17B10 Q99714 8/20 0.56
ALDH1A1 P00352 7/20 0.56
HPGD P15428 7/20 0.56
MAPK1 P28482 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TSHR P16473 5/20 0.56
CASP1 P29466 3/20 0.56
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.50
CASP7 P55210 2/20 0.49
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
USP2 O75604 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL1008095 0.90 KDM4E (0.68) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL312755 0.83 KDM4E (0.80) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL311926 0.80 KDM4E (0.62) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1008031 0.79 LMNA (0.56) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1348276 0.79 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1007005 0.78 HSD17B10 (0.51) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1348367 0.77 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL14827421 0.77 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1924053 0.76 MAPT (0.65) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1007295 0.76 LMNA (0.50) KDM4EHSD17B10ALDH1A1HPGDMAPK1

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 1714/4885HSD17B10 4406/4885ALDH1A1 1343/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 KDM4E 1714/4885HSD17B10 4406/4885ALDH1A1 1343/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 KDM4E 1308/4885HSD17B10 3297/4885ALDH1A1 1699/4885

“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.