SCHEMBL313583

SCHEMBL313583

Nc1ccc(-c2noc(-c3cnn4c(C(F)(F)F)cc(-c5ccc(Cl)cc5)nc34)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
HPGD P15428 9/20 0.45
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 8/20 0.45
GAA P10253 2/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 4/20 0.41
HSD17B10 Q99714 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.38
PLAT P00750 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL313651 0.93 KDM4E (0.48) MAPTHPGDKDM4EALDH1A1GAA
SCHEMBL313421 0.92 MAPT (0.47) MAPTHPGDKDM4EALDH1A1GAA
SCHEMBL313475 0.91 MAPT (0.43) MAPTHPGDKDM4EALDH1A1GAA
SCHEMBL313609 0.90 MAPT (0.43) MAPTHPGDKDM4EALDH1A1GAA
SCHEMBL313711 0.89 MAPT (0.41) MAPTHPGDKDM4EALDH1A1MAPK1
SCHEMBL312220 0.89 MAPT (0.46) MAPTHPGDKDM4EALDH1A1MAPK1
SCHEMBL312662 0.89 S1PR1 (0.46) MAPTHPGDKDM4EALDH1A1GAA
SCHEMBL312820 0.87 MAPT (0.47) MAPTHPGDKDM4EALDH1A1GAA
SCHEMBL313141 0.86 PLAT (0.44) MAPTHPGDKDM4EALDH1A1GAA
SCHEMBL312966 0.86 MAPT (0.46) MAPTHPGDKDM4EALDH1A1MAPK1

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 12 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
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 MAPT 1112/4885HPGD 2071/4885KDM4E 1714/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 MAPT 1112/4885HPGD 2071/4885KDM4E 1714/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 MAPT 1442/4885HPGD 3180/4885KDM4E 1308/4885

“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.