SCHEMBL5133746

SCHEMBL5133746

N#Cc1ncc(NCCO)nc1N1CCc2ccccc2CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.44
GRIN3B O60391 4/20 0.44
GRIN1 Q05586 4/20 0.44
GRIN2A Q12879 4/20 0.44
GRIN2B Q13224 4/20 0.44
GRIN2C Q14957 4/20 0.44
GRIN3A Q8TCU5 4/20 0.44
CHRM1 P11229 3/20 0.44
ADRA1D P25100 3/20 0.44
ADRA1A P35348 3/20 0.44
ADRA1B P35368 3/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 3/20 0.38
KDM6B O15054 3/20 0.38
CHRNA1 P02708 2/20 0.38
MAOB P27338 2/20 0.38
OPRM1 P35372 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
SCHEMBL5132253 0.81 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4414826 0.80 HTR2A (0.44) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL4414964 0.77 GRM2 (0.37) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL6949616 0.72 CCNA2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6429584 0.70 MAPT (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6949245 0.70 KDM4E (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6429560 0.70 KDM4E (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4413318 0.69 KDM4E (0.46) KDM4EALDH1A1GAAPOLBGLA
SCHEMBL6945704 0.69 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5133221 0.67 PLK1 (0.42) KDM4EALDH1A1POLBMAPTCASP1

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
JP-4077319-B2 2008-04-16 JP claimed
EP-1345609-B1 TETRAHYDRO-(BENZO OR THIENO)-AZEPINE-PYRAZINE AND TRIAZINE DERIVATIVES AS MGLUR 1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-06-15 EP claimed
JP-2004517850-A 2004-06-17 JP claimed
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 claimed
US-6586422-B2 For therapy and prophylaxis of acute and/or chronic neurological disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US claimed
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 claimed
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 claimed
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
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-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 (1 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 GRIN2D 18/4885GRIN3B 26/4885GRIN1 14/4885

“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.