SCHEMBL4412381

SCHEMBL4412381

CCc1nc(Cl)c(C#N)nc1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
GLA P06280 2/20 0.44
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 6/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 2/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL4412358 0.92 GLA (0.40) HTTGLAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL8144119 0.86 HTT (0.47) HTTGLAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL282741 0.80 GLA (0.42) HTTGLAMAPK1L3MBTL1ALDH1A1
SCHEMBL29452951 0.80 GLA (0.42) HTTGLAMAPK1L3MBTL1ALDH1A1
SCHEMBL8139181 0.79 KDM4E (0.42) HTTGLAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL23356128 0.77 KDM4E (0.37) HTTGLAL3MBTL1ALDH1A1KDM4E
SCHEMBL30791197 0.77 KDM4E (0.37) HTTGLAL3MBTL1ALDH1A1KDM4E
SCHEMBL6871961 0.77 GLA (0.41) HTTGLAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL11093101 0.74 HTT (0.43) HTTGLAMAPK1SMN1; SMN2L3MBTL1
SCHEMBL12693698 0.73 KDM4E (0.39) HTTMAPK1SMN1; SMN2ALDH1A1KDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397351-B1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
CN-1260226-C Tetrahydro-(benzo or thieno)-azepine-pyrazine and triazine derivatives as mGluR1 antagonists HOFFMANN LA ROCHE (CH) 2006-06-21 CN disclosed
CN-1245391-C Pyrimidine, Triazine and pyrazine derivatives as glutamate receptors HOFFMANN LA ROCHE (CH) 2006-03-15 CN disclosed
EP-1345609-B1 TETRAHYDRO-(BENZO OR THIENO)-AZEPINE-PYRAZINE AND TRIAZINE DERIVATIVES AS MGLUR 1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
CN-1512988-A Pyrimidine, Triazine and pyrazine derivatives as glutamate receptors - 2004-07-14 CN disclosed
CN-1487831-A Tetrahydro-(benzo or thieno)-azepine-pyrazine and triazine derivatives as mGluR1 antagonists - 2004-04-07 CN disclosed
EP-1397351-A1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2004-03-17 EP disclosed
US-6673795-B2 SUCH AS 6-(4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL)-2-METHYL-5-NITRO-3-(2,2,2-TRIFLUORO -ETHYL)-3H-PYRIMIDIN-4-ONE, WHICH ARE METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS USEFUL IN TREATING PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. 2004-01-06 US disclosed
EP-1345609-A1 TETRAHYDRO-(BENZO OR THIENO)-AZEPINE-PYRAZINE AND TRIAZINE DERIVATIVES AS MGLUR 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-09-24 EP disclosed
US-6586422-B2 For therapy and prophylaxis of acute and/or chronic neurological disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US disclosed
US-20030060466-A1 Pyrimidine, pyrazine and triazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-03-27 US disclosed
WO-2002098864-A1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-12 WO disclosed
US-20020123488-A1 Pyrazine and triazine derivatives of 1,2,4,5-tetrahydro-Benzo or Thieno [d] azepine F. HOFFMANN-LA ROCHE AG (CH) 2002-09-05 US disclosed
WO-2002051418-A1 TETRAHYDRO-(BENZO OR THIENO)-AZEPINE-PYRAZINE AND TRIAZINE DERIVATIVES AS MGLUR 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-04 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 (2 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-20020123488-A1 Pyrazine and triazine derivatives of 1,2,4,5-tetrahydro-Benzo or Thieno [d] azepine GRM5, GRIK5, GRM1 HTT 1208/4885GLA 4764/4885MAPK1 1691/4885
US-20030060466-A1 Pyrimidine, pyrazine and triazine derivatives P2RX5, IL5, P2RX2 HTT 2257/4885GLA 4570/4885MAPK1 1111/4885

“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.