SCHEMBL4416951

SCHEMBL4416951

CCn1c(C)nc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
MAPT P10636 7/20 0.46
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 6/20 0.45
LMNA P02545 3/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40

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
SCHEMBL4415029 0.88 SMN1; SMN2 (0.46) POLBMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4414941 0.88 POLB (0.44) POLBMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4417061 0.87 ALDH1A1 (0.49) POLBMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL6950705 0.83 MAPT (0.40) POLBMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL6946348 0.80 MAPT (0.42) POLBMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL4417030 0.77 POLB (0.51) POLBMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL6434778 0.75 CYP2C9 (0.34) POLBMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4413585 0.75 GRM2 (0.39) POLBMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4417411 0.75 MAPT (0.48) POLBMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4416779 0.74 GRM2 (0.42) POLBMAPTMAPK1ALDH1A1LMNA

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 14 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 claimed
CN-1245391-C Pyrimidine, Triazine and pyrazine derivatives as glutamate receptors HOFFMANN LA ROCHE (CH) 2006-03-15 CN claimed
CN-1512988-A Pyrimidine, Triazine and pyrazine derivatives as glutamate receptors - 2004-07-14 CN claimed
EP-1397351-A1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2004-03-17 EP claimed
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 claimed
US-20030060466-A1 Pyrimidine, pyrazine and triazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-03-27 US claimed
WO-2002098864-A1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-12 WO claimed
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 POLB 3000/4885MAPT 1578/4885MAPK1 1111/4885

“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.