Sugi Predict

Sugi Predict / Compounds / SCHEMBL4416779

SCHEMBL4416779

SCHEMBL4416779

Cc1nc(N2CCC(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c(=O)n1CC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 6/20 0.42
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 5/20 0.36
▸ LMNA P02545 2/20 0.36
▸ DGKI O75912 1/20 0.35
▸ DGKA P23743 1/20 0.35
▸ DGKG P49619 1/20 0.35
▸ DGKZ Q13574 1/20 0.35
▸ DGKK Q5KSL6 1/20 0.35
▸ DGKB Q9Y6T7 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ XBP1 P17861 1/20 0.33

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
SCHEMBL4413585 0.85 GRM2 (0.39) GRM2POLBALDH1A1MAPTLMNA
SCHEMBL4414781 0.84 MAPT (0.38) GRM2POLBALDH1A1MAPTLMNA
SCHEMBL4421386 0.83 POLB (0.36) GRM2POLBALDH1A1MAPTLMNA
SCHEMBL4416893 0.78 DUT (0.34) GRM2POLBMAPTAOC3PARP1
SCHEMBL4415123 0.77 PARP1 (0.40) POLBALDH1A1MAPTLMNAAOC3
SCHEMBL4422914 0.77 MAPT (0.43) GRM2ALDH1A1MAPTATM
SCHEMBL4416951 0.74 POLB (0.47) POLBALDH1A1MAPTLMNAMAPK1
SCHEMBL4414941 0.72 POLB (0.44) POLBALDH1A1MAPTLMNAMAPK1
SCHEMBL4415029 0.72 SMN1; SMN2 (0.46) POLBALDH1A1MAPTLMNAMAPK1
SCHEMBL4415008 0.70 GPR119 (0.44) GRM2MAPTAOC3

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 441/4885POLB 3000/4885ALDH1A1 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.