SCHEMBL5133775

SCHEMBL5133775

Cc1nc(N2CCc3ccccc3CC2)c(C#N)nc1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.45
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
CHEK1 O14757 1/20 0.43
ABL1 P00519 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
GRK5 P34947 1/20 0.43
KDR P35968 1/20 0.43
MAP2K2 P36507 1/20 0.43
CDK8 P49336 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
PRKX P51817 1/20 0.43
NEK2 P51955 1/20 0.43
LIMK1 P53667 1/20 0.43
MAP2K1 Q02750 1/20 0.43
PRKCQ Q04759 1/20 0.43

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
SCHEMBL4417076 0.81 KDM4E (0.50) NPSR1POLBHTTRAB9AKDM4E
SCHEMBL5132932 0.80 KDM4E (0.40) NPSR1POLBHTTKDM4EALDH1A1
SCHEMBL4427340 0.77 SMN1; SMN2 (0.44) NPSR1POLBHTTRAB9AKDM4E
SCHEMBL5132930 0.77 KDM4E (0.40) NPSR1POLBHTTKDM4EALDH1A1
SCHEMBL19439626 0.75 CHEK1 (0.59) NPSR1HTTCHEK1ABL1PDGFRB
SCHEMBL6429560 0.71 KDM4E (0.42) NPSR1POLBHTTKDM4EALDH1A1
SCHEMBL5531200 0.71 CHEK1 (0.54) HTTCHEK1ABL1PDGFRBPDGFRA
SCHEMBL5131360 0.70 KDM4E (0.41) NPSR1POLBHTTKDM4EHRH4
SCHEMBL11370778 0.70 CHEK1 (0.53) HTTCHEK1ABL1PDGFRBPDGFRA
SCHEMBL4417028 0.70 CHEK1 (0.53) NPSR1HTTCHEK1ABL1PDGFRB

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 NPSR1 161/4885POLB 4831/4885HTT 1208/4885

“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.