SCHEMBL5128972

SCHEMBL5128972

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.46
KCNK9 Q9NPC2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GFER P55789 1/20 0.43
USP30 Q70CQ3 4/20 0.41
MET P08581 1/20 0.41
IDH1 O75874 1/20 0.39
PRMT5 O14744 1/20 0.39
BTK Q06187 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 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
SCHEMBL5128969 1.00 KCNK3 (0.46) KCNK3KCNK9ALDH1A1NPC1MAPT
SCHEMBL5129445 0.93 ALDH1A1 (0.43) KCNK3KCNK9ALDH1A1NPC1MAPT
SCHEMBL5129442 0.93 ALDH1A1 (0.43) KCNK3KCNK9ALDH1A1NPC1MAPT
SCHEMBL5132216 0.92 KCNK3 (0.44) KCNK3KCNK9ALDH1A1NPC1MAPT
SCHEMBL5132217 0.92 KCNK3 (0.44) KCNK3KCNK9ALDH1A1NPC1MAPT
SCHEMBL3955479 0.92 KCNK3 (0.42) KCNK3KCNK9ALDH1A1NPC1MAPT
SCHEMBL3955483 0.92 KCNK3 (0.42) KCNK3KCNK9ALDH1A1NPC1MAPT
SCHEMBL5131691 0.92 KCNK3 (0.42) KCNK3KCNK9ALDH1A1NPC1MAPT
SCHEMBL5128596 0.91 ALDH1A1 (0.44) KCNK3KCNK9ALDH1A1NPC1MAPT
SCHEMBL5128594 0.91 ALDH1A1 (0.44) KCNK3KCNK9ALDH1A1NPC1MAPT

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

“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.