SCHEMBL311752

SCHEMBL311752

Cc1cc(C#N)c([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.45
GRIA2 P42262 2/20 0.45
GRIA3 P42263 2/20 0.45
GRIA4 P48058 2/20 0.45
MAPT P10636 2/20 0.45
GRM6 O15303 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
APEX1 P27695 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
VCAM1 P19320 3/20 0.44
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
AR P10275 7/20 0.39
ALDH1A1 P00352 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
SCHEMBL5291433 0.81 MAPT (0.54) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL12972538 0.81 MAPT (0.48) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL3566138 0.81 AR (0.46) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL311489 0.79 CYP1A2 (0.43) MAPTCYP1A2ALOX15CYP2C9HPGD
SCHEMBL26601018 0.78 ALDH1A1 (0.45) MAPTCYP1A2ALOX15CYP2C9HPGD
SCHEMBL312997 0.77 AR (0.45) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL4648762 0.77 TDP1 (0.43) CYP1A2ALOX15CYP2C9HPGDTDP1
SCHEMBL29739489 0.77 TDP1 (0.43) CYP1A2ALOX15CYP2C9HPGDTDP1
SCHEMBL311059 0.76 PTGES (0.42) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL1343684 0.76 MAPT (0.49) GRIA1GRIA2GRIA3GRIA4MAPT

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 35 patents — showing the first 20. 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
US-8063048-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
CN-101273040-B Diazolylpyrazolopyrimidines as MGLUR2 antagonists HOFFMANN LA ROCHE 2011-11-09 CN disclosed
EP-1851225-B1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-15 EP disclosed
US-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2010-08-19 US disclosed
US-7718661-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-05-18 US disclosed
EP-1934214-B1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-04-07 EP disclosed
EP-1863818-B1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-03-10 EP disclosed
CN-1964973-A Pyrrazolo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-05-16 CN 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
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-09-28 US disclosed
WO-2006099972-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 WO disclosed
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 US disclosed
WO-2006084634-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-08-17 WO disclosed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 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 (6 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-20100210642-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 GRIA1 739/4885GRIA2 819/4885GRIA3 575/4885
US-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 GRIA1 987/4885GRIA2 919/4885GRIA3 508/4885
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 GRIA1 739/4885GRIA2 819/4885GRIA3 575/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 GRIA1 16/4885GRIA2 24/4885GRIA3 22/4885
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives GRM1, GRM2, GRM3 GRIA1 18/4885GRIA2 29/4885GRIA3 31/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 GRIA1 18/4885GRIA2 20/4885GRIA3 21/4885

“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.