Sugi Predict

Sugi Predict / Compounds / SCHEMBL4421386

SCHEMBL4421386

SCHEMBL4421386

Cc1nc(N2CCC(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c(=O)n1CCCCO

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ ESRRG P62508 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ ESRRB O95718 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ DRD2 P14416 3/20 0.33
▸ GRM2 Q14416 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HTR7 P34969 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
SCHEMBL4414781 0.86 MAPT (0.38) POLBPARP1PARP2MAPTALDH1A1
SCHEMBL4416893 0.85 DUT (0.34) POLBPARP1PARP2MAPTAOC3
SCHEMBL4413585 0.84 GRM2 (0.39) POLBPARP1PARP2MAPTALDH1A1
SCHEMBL4416779 0.83 GRM2 (0.42) POLBPARP1PARP2MAPTALDH1A1
SCHEMBL4415029 0.81 SMN1; SMN2 (0.46) POLBMAPTALDH1A1LMNA
SCHEMBL6949181 0.80 TSHR (0.43) POLBTSHRMAPTALDH1A1LMNA
SCHEMBL4413395 0.80 AOC3 (0.38) MAPTAOC3HTR2AESRRGESRRB
SCHEMBL6949240 0.77 TSHR (0.46) POLBTSHRMAPTALDH1A1LMNA
SCHEMBL4415123 0.75 PARP1 (0.40) POLBPARP1PARP2MAPTALDH1A1
SCHEMBL4422914 0.75 MAPT (0.43) MAPTALDH1A1GRM2

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 7 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
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 3000/4885PARP1 1602/4885PARP2 1800/4885

“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.