SCHEMBL312918

SCHEMBL312918

CN(C)/C=N/c1ccc(-c2ccc(Cl)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 6/20 0.45
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 8/20 0.42
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
LTA4H P09960 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PLAU P00749 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL312919 1.00 MAPT (0.49) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL1355451 0.86 ADRA2A (0.46) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL1355450 0.86 ADRA2A (0.46) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL12998317 0.86 ADRA2A (0.46) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL312502 0.80 ALDH1A1 (0.49) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL312501 0.80 ALDH1A1 (0.49) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL312357 0.76 MAPT (0.51) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL312358 0.76 MAPT (0.51) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL1356191 0.74 ADRA2A (0.47) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL1356192 0.74 ADRA2A (0.47) MAPTALDH1A1KDM4EGAASMN1; SMN2

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 9 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-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 1112/4885ALDH1A1 1343/4885KDM4E 1714/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 MAPT 1112/4885ALDH1A1 1343/4885KDM4E 1714/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 MAPT 1442/4885ALDH1A1 1699/4885KDM4E 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.