SCHEMBL3963510

SCHEMBL3963510

CCCCc1nc2ccccn2c(=O)c1-c1ccc(NC2CCCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.45
USP30 Q70CQ3 2/20 0.41
KCNK3 O14649 3/20 0.41
KCNK9 Q9NPC2 3/20 0.41
METTL3 Q86U44 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BTK Q06187 1/20 0.38
BRD4 O60885 1/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PARP1 P09874 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
MET P08581 1/20 0.37
MAPT P10636 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
SCHEMBL3965651 1.00 GFER (0.45) GFERUSP30KCNK3KCNK9METTL3
SCHEMBL3955479 0.95 KCNK3 (0.42) GFERUSP30KCNK3KCNK9METTL3
SCHEMBL3955483 0.95 KCNK3 (0.42) GFERUSP30KCNK3KCNK9METTL3
SCHEMBL5131691 0.95 KCNK3 (0.42) GFERUSP30KCNK3KCNK9METTL3
SCHEMBL5129445 0.91 ALDH1A1 (0.43) GFERUSP30KCNK3KCNK9HDAC4
SCHEMBL5129442 0.91 ALDH1A1 (0.43) GFERUSP30KCNK3KCNK9HDAC4
SCHEMBL5128986 0.91 ALDH1A1 (0.47) KCNK3KCNK9AGTR1AGTR2ALDH1A1
SCHEMBL3961045 0.89 GFER (0.49) GFERKCNK3KCNK9AGTR1AGTR2
SCHEMBL5128596 0.88 ALDH1A1 (0.44) GFERUSP30KCNK3KCNK9HDAC4
SCHEMBL5128594 0.88 ALDH1A1 (0.44) GFERUSP30KCNK3KCNK9HDAC4

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 GFER 2626/4885USP30 4715/4885KCNK3 56/4885

“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.