SCHEMBL5128596

SCHEMBL5128596

CCc1nc2ccccn2c(=O)c1-c1ccc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KCNK3 O14649 3/20 0.44
KCNK9 Q9NPC2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
USP30 Q70CQ3 4/20 0.43
MET P08581 1/20 0.42
GFER P55789 1/20 0.42
POLR1A O95602 1/20 0.40
BTK Q06187 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 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
SCHEMBL5128594 1.00 ALDH1A1 (0.44) ALDH1A1KCNK3KCNK9L3MBTL1NPC1
SCHEMBL5129445 0.94 ALDH1A1 (0.43) ALDH1A1KCNK3KCNK9L3MBTL1NPC1
SCHEMBL5129442 0.94 ALDH1A1 (0.43) ALDH1A1KCNK3KCNK9L3MBTL1NPC1
SCHEMBL5131691 0.92 KCNK3 (0.42) ALDH1A1KCNK3KCNK9L3MBTL1NPC1
SCHEMBL3955479 0.92 KCNK3 (0.42) ALDH1A1KCNK3KCNK9L3MBTL1NPC1
SCHEMBL3955483 0.92 KCNK3 (0.42) ALDH1A1KCNK3KCNK9L3MBTL1NPC1
SCHEMBL5128969 0.91 KCNK3 (0.46) ALDH1A1KCNK3KCNK9L3MBTL1NPC1
SCHEMBL5128972 0.91 KCNK3 (0.46) ALDH1A1KCNK3KCNK9L3MBTL1NPC1
SCHEMBL5132217 0.91 KCNK3 (0.44) ALDH1A1KCNK3KCNK9L3MBTL1NPC1
SCHEMBL5132216 0.91 KCNK3 (0.44) ALDH1A1KCNK3KCNK9L3MBTL1NPC1

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
US-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 US claimed
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

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 ALDH1A1 1009/4885KCNK3 56/4885KCNK9 107/4885

“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.