SCHEMBL3955434

SCHEMBL3955434

CCCCc1nc2ccccn2c(=O)c1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
ENPP2 Q13822 1/20 0.48
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
KDM4E B2RXH2 8/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRB2 P47870 1/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SLC2A1 P11166 1/20 0.40

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
SCHEMBL3959106 0.93 ENPP2 (0.50) MAPTENPP2KDM4ENPC1POLB
SCHEMBL3953186 0.88 MAPT (0.59) MAPTAGTR1AGTR2KDM4ETDP1
SCHEMBL3961340 0.88 MAPT (0.53) MAPTAGTR1AGTR2KDM4ETDP1
SCHEMBL3964209 0.88 ENPP2 (0.55) MAPTENPP2KDM4ETDP1NPC1
SCHEMBL3965629 0.87 MAPT (0.50) MAPTENPP2AGTR1AGTR2KDM4E
SCHEMBL3955412 0.86 MAPT (0.49) MAPTENPP2AGTR1AGTR2KDM4E
SCHEMBL3959990 0.86 MAPT (0.51) MAPTAGTR1AGTR2KDM4ETDP1
SCHEMBL5129012 0.86 MAPT (0.53) MAPTAGTR1AGTR2KDM4ETDP1
SCHEMBL3955336 0.86 ENPP2 (0.48) MAPTENPP2KDM4ENPC1POLB
SCHEMBL3963686 0.85 MAPT (0.51) MAPTENPP2AGTR1AGTR2KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079737-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2009-07-22 EP claimed
US-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 US claimed
WO-2008097991-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 WO claimed
EP-2079737-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2009-07-22 EP disclosed
US-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 US disclosed
US-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 US disclosed
US-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 US disclosed
WO-2008097991-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 WO disclosed
WO-2008097991-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 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-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS SCN1A, SCN3A, SCN1B MAPT 183/4885ENPP2 564/4885AGTR1 146/4885

“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.