SCHEMBL4414964

SCHEMBL4414964

N#Cc1ncc(NCCO)nc1N1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.37
AOC3 Q16853 2/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
GPR6 P46095 2/20 0.34
RCE1 Q9Y256 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AKT1 P31749 1/20 0.33
KIT P10721 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAPK14 Q16539 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
TRPV1 Q8NER1 1/20 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
SCHEMBL4414826 0.85 HTR2A (0.44) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL5133746 0.77 GRIN2D (0.44) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL4416527 0.76 GRM2 (0.41) GRM2AOC3ALDH1A1KDM4EGAA
SCHEMBL4417499 0.75 GRM2 (0.41) GRM2AOC3ALDH1A1RPS6KB1AKT1
SCHEMBL4414815 0.74 GRM2 (0.39) GRM2ALDH1A1KDM4EGAAGPR6
SCHEMBL4417168 0.73 GRM2 (0.39) GRM2ALDH1A1KDM4EGAAGPR6
SCHEMBL4425944 0.73 AXL (0.39) GRM2GPR6
SCHEMBL4417479 0.73 GRM2 (0.40) GRM2AOC3ALDH1A1KDM4EGAA
SCHEMBL4417548 0.71 GRM2 (0.37) GRM2ALDH1A1KDM4EGAAGPR6
SCHEMBL4413529 0.70 ALDH1A1 (0.40) GRM2ALDH1A1KDM4EGAATSHR

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 7 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-1245391-C Pyrimidine, Triazine and pyrazine derivatives as glutamate receptors HOFFMANN LA ROCHE (CH) 2006-03-15 CN disclosed
CN-1512988-A Pyrimidine, Triazine and pyrazine derivatives as glutamate receptors - 2004-07-14 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
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

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-20030060466-A1 Pyrimidine, pyrazine and triazine derivatives P2RX5, IL5, P2RX2 GRM2 441/4885AOC3 2332/4885ALDH1A1 2009/4885

“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.