SCHEMBL3961340

SCHEMBL3961340

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
DHFR P00374 1/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
POLB P06746 1/20 0.38
KDM5B Q9UGL1 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
SCHEMBL3953186 0.88 MAPT (0.59) MAPTAGTR1AGTR2KDM4ETDP1
SCHEMBL3955434 0.88 MAPT (0.53) MAPTAGTR1AGTR2KDM4ETDP1
SCHEMBL3959990 0.86 MAPT (0.51) MAPTAGTR1AGTR2KDM4ETDP1
SCHEMBL5129012 0.86 MAPT (0.53) MAPTAGTR1AGTR2KDM4ETDP1
SCHEMBL3960608 0.84 MAPT (0.49) MAPTAGTR1AGTR2KDM4ETDP1
SCHEMBL14106369 0.83 MAPT (0.51) MAPTAGTR1AGTR2KDM4ETDP1
SCHEMBL3957534 0.83 MAPT (0.54) MAPTAGTR1AGTR2KDM4ETDP1
SCHEMBL3955412 0.82 MAPT (0.49) MAPTAGTR1AGTR2KDM4ETDP1
SCHEMBL3960634 0.82 GAA (0.49) MAPTAGTR1AGTR2KDM4ETDP1
SCHEMBL3963686 0.81 MAPT (0.51) MAPTAGTR1AGTR2KDM4ETDP1

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
US-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 US 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 183/4885AGTR1 146/4885AGTR2 214/4885

“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.