SCHEMBL4416464

SCHEMBL4416464

Cc1nc(OCCCCO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])c(N2CCC(c3ccc(F)cc3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.38
MAPT P10636 1/20 0.35
GPR119 Q8TDV5 9/20 0.34
MGMT P16455 2/20 0.34
AOC3 Q16853 2/20 0.34
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
HTR2A P28223 1/20 0.32
DRD3 P35462 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DUT P33316 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4413395 0.88 AOC3 (0.38) GRM2MAPTGPR119MGMTAOC3
SCHEMBL4415008 0.85 GPR119 (0.44) GRM2MAPTGPR119MGMTAOC3
SCHEMBL4416893 0.84 DUT (0.34) GRM2MAPTGPR119AOC3HTR1A
SCHEMBL4420340 0.83 GRM2 (0.42) GRM2GPR119MGMTAOC3KDM4E
SCHEMBL6947669 0.81 MGMT (0.40) MAPTMGMTHTR1AKMT2ASMN1; SMN2
SCHEMBL4422945 0.75 MGMT (0.41) GRM2MAPTGPR119MGMTAOC3
SCHEMBL4417509 0.74 MAPT (0.44) MAPTMGMTHTR1AKMT2ASMN1; SMN2
SCHEMBL4412461 0.72 MAPT (0.46) MAPTMGMTKMT2ASMN1; SMN2
SCHEMBL4417411 0.70 MAPT (0.48) MAPTMGMTKMT2ASMN1; SMN2
SCHEMBL4415123 0.69 PARP1 (0.40) MAPTAOC3KMT2ASMN1; SMN2

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 GRM2 441/4885MAPT 1578/4885GPR119 2048/4885

“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.