Sugi Predict

Sugi Predict / Compounds / SCHEMBL4416965

SCHEMBL4416965

SCHEMBL4416965

N#Cc1c(NCCO)nc(NCCO)nc1N1CCN(c2ccccc2O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ MAPT P10636 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ GAA P10253 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ GLA P06280 1/20 0.42
▸ GBA1 P04062 2/20 0.42
▸ SLC29A1 Q99808 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 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
SCHEMBL4414810 0.90 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EALOX15CASP1
SCHEMBL4416390 0.88 KDM4E (0.43) ALDH1A1MAPTKDM4EALOX15CASP1
SCHEMBL4419664 0.88 MAPT (0.42) ALDH1A1MAPTKDM4EALOX15CASP1
SCHEMBL4427305 0.88 KDM4E (0.45) ALDH1A1MAPTKDM4EALOX15CASP1
SCHEMBL4424088 0.86 GBA1 (0.46) ALDH1A1MAPTKDM4EALOX15CASP1
SCHEMBL4415044 0.86 NPC1 (0.55) ALDH1A1MAPTKDM4EHSD17B10USP2
SCHEMBL4416905 0.86 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EALOX15CASP1
SCHEMBL4413464 0.84 RAB9A (0.41) ALDH1A1MAPTKDM4EALOX15CASP1
SCHEMBL4415144 0.84 MAPT (0.55) ALDH1A1MAPTKDM4EHSD17B10USP2
SCHEMBL4416406 0.80 KDM4E (0.44) ALDH1A1MAPTKDM4EALOX15CASP1

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 ALDH1A1 2009/4885MAPT 1578/4885KDM4E 2735/4885

“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.