SCHEMBL4417486

SCHEMBL4417486

CS(=O)(=O)c1nc(OCC(F)(F)F)c(C#N)c(N2CCC(c3ccccc3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 19/20 0.43
PIK3CD O00329 1/20 0.39

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
SCHEMBL4417441 0.92 GRM2 (0.41) GRM2PIK3CD
SCHEMBL6957239 0.85 PIK3CD (0.40) GRM2PIK3CD
SCHEMBL4420371 0.84 GRM2 (0.45) GRM2PIK3CD
SCHEMBL4417537 0.78 GRM2 (0.42) GRM2PIK3CD
SCHEMBL4422651 0.76 KDM4E (0.42) GRM2
SCHEMBL4424135 0.76 GRM2 (0.42) GRM2PIK3CD
SCHEMBL4413452 0.75 GRM2 (0.41) GRM2
SCHEMBL6949294 0.71 KDM4E (0.43) GRM2PIK3CD
SCHEMBL4417479 0.70 GRM2 (0.40) GRM2PIK3CD
SCHEMBL4422945 0.70 MGMT (0.41) GRM2

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 441/4885PIK3CD 2052/4885

“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.