SCHEMBL4412358

SCHEMBL4412358

CCc1nc(C#N)c(Cl)nc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 7/20 0.36
L3MBTL1 Q9Y468 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 3/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 4/20 0.32

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
SCHEMBL4412381 0.92 HTT (0.44) GLAHTTKDM4EL3MBTL1MEN1
SCHEMBL8144119 0.86 HTT (0.47) GLAHTTKDM4EL3MBTL1MEN1
SCHEMBL29452951 0.84 GLA (0.42) GLAHTTKDM4EL3MBTL1GAA
SCHEMBL282741 0.84 GLA (0.42) GLAHTTKDM4EL3MBTL1GAA
SCHEMBL8139181 0.79 KDM4E (0.42) GLAHTTKDM4EL3MBTL1MEN1
SCHEMBL11093101 0.78 HTT (0.43) GLAHTTKDM4EL3MBTL1MEN1
SCHEMBL12693698 0.77 KDM4E (0.39) HTTKDM4EMEN1KMT2AGAA
SCHEMBL6872415 0.77 GLA (0.41) GLAHTTKDM4EL3MBTL1MEN1
SCHEMBL19436393 0.74 GLA (0.37) GLAHTTKDM4EL3MBTL1MEN1
SCHEMBL6871961 0.73 GLA (0.41) GLAHTTKDM4EL3MBTL1MEN1

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 GLA 4764/4885HTT 1208/4885KDM4E 1234/4885
US-20030060466-A1 Pyrimidine, pyrazine and triazine derivatives P2RX5, IL5, P2RX2 GLA 4570/4885HTT 2257/4885KDM4E 2735/4885

“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.