SCHEMBL4419664

SCHEMBL4419664

N#Cc1c(NCCO)nc(NCCO)nc1N1CCN(c2ccccc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 6/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 3/20 0.41
THRB P10828 1/20 0.41
SLC29A1 Q99808 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
EGFR P00533 1/20 0.38
CCNA2 P20248 1/20 0.38

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 0.89 ALDH1A1 (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4416965 0.88 ALDH1A1 (0.43) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL4416390 0.88 KDM4E (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4427305 0.87 KDM4E (0.45) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL4424088 0.85 GBA1 (0.46) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL4415044 0.85 NPC1 (0.55) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL4416905 0.85 ALDH1A1 (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4415144 0.83 MAPT (0.55) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL4413464 0.83 RAB9A (0.41) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4412341 0.83 ALDH1A1 (0.49) MAPTMEN1KMT2AKDM4EALDH1A1

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 1578/4885MEN1 3866/4885KMT2A 2163/4885

“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.