SCHEMBL313181

SCHEMBL313181

N#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.56
KDM4E B2RXH2 7/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 6/20 0.49
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 4/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
CDK2 P24941 1/20 0.46
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL1924058 0.90 CSNK2A1 (0.70) CSNK2A1KDM4EMAPTHPGDALDH1A1
SCHEMBL1924384 0.90 CDK2 (0.54) CSNK2A1KDM4EMAPTHPGDALDH1A1
SCHEMBL1924374 0.89 KDM4E (0.64) CSNK2A1KDM4EMAPTHPGDALDH1A1
SCHEMBL1009507 0.89 CSNK2A1 (0.67) CSNK2A1KDM4EMAPTHPGDALDH1A1
SCHEMBL1924372 0.88 KDM4E (0.61) CSNK2A1KDM4EMAPTHPGDALDH1A1
SCHEMBL15468127 0.88 CSNK2A1 (0.56) CSNK2A1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL1348200 0.88 KDM4E (0.50) CSNK2A1KDM4EMAPTHPGDALDH1A1
SCHEMBL14850544 0.85 KDM4E (0.51) CSNK2A1KDM4EMAPTHPGDALDH1A1
SCHEMBL1924383 0.85 CSNK2A1 (0.54) CSNK2A1KDM4EMAPTHPGDALDH1A1
SCHEMBL1925299 0.84 CSNK2A1 (0.50) CSNK2A1KDM4EMAPTHPGDALDH1A1

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 16 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-1670801-B1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-08 EP 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-7514443-B2 Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors HOFFMANN-LA ROCHE INC. (US) 2009-04-07 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
US-20080051421-A1 Pyrazolo-pyridine WICHMANN JUERGEN 2008-02-28 US disclosed
US-7329662-B2 Pyrazolo-pyridine HOFFMANN-LA ROCHE INC. (US) 2008-02-12 US 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-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 EP disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO 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 (5 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 CSNK2A1 2347/4885KDM4E 1714/4885MAPT 1112/4885
US-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CSNK2A1 1897/4885KDM4E 1251/4885MAPT 1263/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 CSNK2A1 2347/4885KDM4E 1714/4885MAPT 1112/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CSNK2A1 1897/4885KDM4E 1251/4885MAPT 1263/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 CSNK2A1 1317/4885KDM4E 1308/4885MAPT 1442/4885

“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.