SCHEMBL4416893

SCHEMBL4416893

Cc1nc(N2CCC(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c(=O)n1CCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.34
GRM2 Q14416 4/20 0.34
POLB P06746 1/20 0.33
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PTAFR P25105 1/20 0.32
AOC3 Q16853 1/20 0.31
HTR2A P28223 3/20 0.31
MAPT P10636 2/20 0.31
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HTR7 P34969 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
SCHEMBL4421386 0.85 POLB (0.36) GRM2POLBPARP1PARP2AOC3
SCHEMBL4414781 0.84 MAPT (0.38) GRM2POLBPARP1PARP2AOC3
SCHEMBL4416464 0.84 GRM2 (0.38) DUTGRM2AOC3HTR2AMAPT
SCHEMBL6945301 0.82 DUT (0.35) DUTPOLBMAPTHTR1AHTR7
SCHEMBL4413585 0.80 GRM2 (0.39) GRM2POLBPARP1PARP2AOC3
SCHEMBL4416779 0.78 GRM2 (0.42) GRM2POLBPARP1PARP2AOC3
SCHEMBL4422914 0.72 MAPT (0.43) GRM2MAPT
SCHEMBL4413395 0.71 AOC3 (0.38) GRM2AOC3HTR2AMAPTHTR1A
SCHEMBL4417061 0.70 ALDH1A1 (0.49) POLBMAPTMAPK1
SCHEMBL4415123 0.70 PARP1 (0.40) POLBPARP1PARP2AOC3MAPT

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 5 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
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 DUT 965/4885GRM2 441/4885POLB 3000/4885

“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.