SCHEMBL312216

SCHEMBL312216

Cc1cc(-c2ccc(C(F)(F)F)cc2)cn2c(-c3nc(-c4ccc(S(N)(=O)=O)cc4)no3)cnc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.47
CA2 P00918 8/20 0.43
CA9 Q16790 8/20 0.43
CA12 O43570 6/20 0.43
CA1 P00915 6/20 0.43
KIF11 P52732 1/20 0.43
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 2/20 0.41
PDPK1 O15530 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL313729 0.91 CA9 (0.47) S1PR1CA2CA9CA12CA1
SCHEMBL312233 0.90 S1PR1 (0.51) S1PR1CA2CA9CA12CA1
SCHEMBL311745 0.88 S1PR1 (0.49) S1PR1CA2CA9CA12CA1
SCHEMBL313095 0.86 LMNA (0.42) S1PR1LMNATHRBPOLBKDM4E
SCHEMBL312604 0.85 CA2 (0.40) S1PR1CA2CA9CA12CA1
SCHEMBL313597 0.85 LMNA (0.42) S1PR1LMNATHRBPOLBKDM4E
SCHEMBL312206 0.84 CA9 (0.47) S1PR1CA2CA9CA12CA1
SCHEMBL313739 0.83 S1PR1 (0.54) S1PR1LMNATHRBPOLBKDM4E
SCHEMBL312554 0.82 CA9 (0.48) S1PR1CA2CA9CA12CA1
SCHEMBL312478 0.80 CA9 (0.49) S1PR1CA2CA9CA12CA1

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
US-8093263-B2 Substituted pyrazolo [1,5-a] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US claimed
EP-1934214-B1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-04-07 EP claimed
US-20090143580-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS MCARTHUR SILVIA GATTI 2009-06-04 US claimed
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. 2007-03-29 US 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 S1PR1 264/4885CA2 2665/4885CA9 4684/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 S1PR1 264/4885CA2 2665/4885CA9 4684/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 S1PR1 349/4885CA2 1428/4885CA9 4052/4885

“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.