SCHEMBL4417548

SCHEMBL4417548

CN(c1nc(NCCO)c(C#N)c(N2CCC(c3ccc(F)cc3)CC2)n1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.37
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.35
HRH1 P35367 1/20 0.35
PIK3CD O00329 1/20 0.34
HTT P42858 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4412348 0.91 ALDH1A1 (0.41) GRM2KDM4EALDH1A1MAPTMEN1
SCHEMBL4417051 0.89 HPGD (0.46) KDM4EALDH1A1MAPTMEN1GLA
SCHEMBL4416527 0.84 GRM2 (0.41) GRM2KDM4EALDH1A1MAPTMEN1
SCHEMBL4414815 0.84 GRM2 (0.39) GRM2KDM4EALDH1A1MAPTMEN1
SCHEMBL4414989 0.82 ALDH1A1 (0.44) KDM4EALDH1A1MAPTMEN1GLA
SCHEMBL4417168 0.81 GRM2 (0.39) GRM2KDM4EALDH1A1MAPTMEN1
SCHEMBL4417550 0.80 GRM2 (0.42) GRM2KDM4EALDH1A1MAPTMEN1
SCHEMBL4425944 0.78 AXL (0.39) GRM2GPR6JAK2JAK1JAK3
SCHEMBL4417499 0.76 GRM2 (0.41) GRM2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4413529 0.76 ALDH1A1 (0.40) GRM2KDM4EALDH1A1MAPTMEN1

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 9 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-1512988-A Pyrimidine, Triazine and pyrazine derivatives as glutamate receptors - 2004-07-14 CN 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
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
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

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 441/4885KDM4E 2735/4885ALDH1A1 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.