SCHEMBL3962874

SCHEMBL3962874

CC(C)c1nc2ccccn2c(=O)c1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.52
KDM4E B2RXH2 8/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
PIK3CD O00329 4/20 0.46
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR1I3 Q14994 1/20 0.43
KCNK3 O14649 2/20 0.43
KCNK9 Q9NPC2 2/20 0.43
GABRA1 P14867 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRB2 P47870 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41

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
SCHEMBL3958412 0.82 ENPP2 (0.62) ENPP2KDM4ESMN1; SMN2NPC1POLB
SCHEMBL3960626 0.81 USP7 (0.53) ENPP2KDM4ESMN1; SMN2NPC1POLB
SCHEMBL3955336 0.80 ENPP2 (0.48) ENPP2KDM4ESMN1; SMN2NPC1POLB
SCHEMBL3964209 0.79 ENPP2 (0.55) ENPP2KDM4ESMN1; SMN2NPC1POLB
SCHEMBL3960302 0.79 ENPP2 (0.52) ENPP2KDM4ESMN1; SMN2NPC1POLB
SCHEMBL3959106 0.77 ENPP2 (0.50) ENPP2KDM4ESMN1; SMN2NPC1POLB
SCHEMBL3959071 0.76 FADS1 (0.48) ENPP2KDM4ESMN1; SMN2NPC1POLB
SCHEMBL3955434 0.75 MAPT (0.53) ENPP2KDM4ESMN1; SMN2NPC1POLB
SCHEMBL3956316 0.75 KDM4E (0.46) KDM4EPIK3CDKCNK3KCNK9ALDH1A1
SCHEMBL3962921 0.75 KDM4E (0.47) KDM4ESMN1; SMN2NPC1RAB9AMAPT

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 ENPP2 564/4885KDM4E 3846/4885SMN1; SMN2 108/4885

“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.