SCHEMBL312814

SCHEMBL312814

NS(=O)(=O)c1cccc(-c2noc(-c3cnn4ccc(-c5ccc(C(F)(F)F)cc5)nc34)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 8/20 0.48
CA2 P00918 7/20 0.48
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
KCNH2 Q12809 1/20 0.43
S1PR1 P21453 2/20 0.42
POLB P06746 1/20 0.42
CA4 P22748 1/20 0.42
PIK3CD O00329 1/20 0.41
CHUK O15111 1/20 0.41
TXNRD1 Q16881 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PLAT P00750 1/20 0.37
CAMKK1 Q8N5S9 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37

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
SCHEMBL312450 0.89 CA9 (0.51) CA9CA2CA12CA1KCNH2
SCHEMBL314469 0.85 HPGD (0.49) CA9CA2CA12CA1S1PR1
SCHEMBL312119 0.83 CA9 (0.48) CA9CA2CA12CA1S1PR1
SCHEMBL312023 0.82 PLAT (0.49) CA9CA2CA12CA1PLAT
SCHEMBL312217 0.81 CA2 (0.41) CA9CA2CA12CA1S1PR1
SCHEMBL312396 0.80 S1PR1 (0.48) S1PR1POLBPIK3CDCHUKTXNRD1
SCHEMBL313069 0.79 CA9 (0.48) CA9CA2CA12CA1S1PR1
SCHEMBL311685 0.79 HPGD (0.49) CA9CA2CA12CA1PLAT
SCHEMBL3559092 0.79 CA9 (0.59) CA9CA2CA12CA1S1PR1
SCHEMBL314071 0.78 HPGD (0.48) CA9CA2CA12CA1CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934214-B1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-04-07 EP claimed
US-7504404-B2 Compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-03-17 US claimed
EP-1934214-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP claimed
WO-2007039439-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO claimed
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 CA9 4684/4885CA2 2665/4885CA12 4825/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 CA9 4684/4885CA2 2665/4885CA12 4825/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 CA9 4052/4885CA2 1428/4885CA12 4069/4885

“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.