SCHEMBL4416447

SCHEMBL4416447

N#Cc1c(Cl)nc(NCCO)nc1N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 3/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC29A1 Q99808 3/20 0.40
KDM6B O15054 3/20 0.40
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 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
SCHEMBL4417095 0.89 PDE4A (0.46) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4412341 0.88 ALDH1A1 (0.49) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4417499 0.86 GRM2 (0.41) MEN1KMT2AMAPTALDH1A1SLC29A1
SCHEMBL4417008 0.84 KMT2A (0.47) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL6872279 0.81 HPGD (0.47) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4417055 0.80 KMT2A (0.44) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4415007 0.79 KMT2A (0.45) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4412497 0.77 PDE4A (0.43) MAPTALDH1A1NPSR1KDM4ESLC29A1
SCHEMBL4416905 0.77 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4415014 0.77 TP53 (0.43) MEN1KMT2AMAPTALDH1A1HPGD

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 MEN1 3866/4885KMT2A 2163/4885MAPT 1578/4885

“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.