Sugi Predict

Sugi Predict / Compounds / SCHEMBL4427281

SCHEMBL4427281

SCHEMBL4427281

Cc1nc(OCC(F)(F)F)c([N+](=O)[O-])c(N2CCN(c3ccc(F)cc3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ ENPP2 Q13822 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MGMT P16455 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ MPI P34949 1/20 0.37
▸ PHOSPHO1 Q8TCT1 1/20 0.37

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
SCHEMBL4417411 0.89 MAPT (0.48) MAPTMAPK1POLBSMN1; SMN2ALDH1A1
SCHEMBL4420340 0.86 GRM2 (0.42) POLBALDH1A1CYP3A4MGMTTSHR
SCHEMBL4412461 0.86 MAPT (0.46) MAPTMAPK1POLBSMN1; SMN2ALDH1A1
SCHEMBL4417509 0.84 MAPT (0.44) MAPTMAPK1POLBSMN1; SMN2ALDH1A1
SCHEMBL4419717 0.84 MAPT (0.44) MAPTMAPK1POLBSMN1; SMN2ALDH1A1
SCHEMBL6947678 0.82 MGMT (0.42) MAPTPOLBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4420437 0.82 POLB (0.46) MAPTMAPK1POLBSMN1; SMN2ALDH1A1
SCHEMBL6872427 0.80 POLB (0.44) MAPTMAPK1POLBSMN1; SMN2ALDH1A1
SCHEMBL4422945 0.79 MGMT (0.41) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4414941 0.74 POLB (0.44) MAPTMAPK1POLBSMN1; SMN2ALDH1A1

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 MAPT 1578/4885MAPK1 1111/4885POLB 3000/4885

“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.