SCHEMBL3958313

SCHEMBL3958313

CCCCc1nc2cc(C(F)(F)F)ccn2c(=O)c1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
MAT2A P31153 4/20 0.38
USP7 Q93009 1/20 0.37
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
CNR2 P34972 1/20 0.35
CTRC Q99895 1/20 0.34
KCNQ3 O43525 2/20 0.34
KCNQ2 O43526 2/20 0.34
DCTPP1 Q9H773 1/20 0.34
PSD A5PKW4 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34

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
SCHEMBL3955434 0.80 MAPT (0.53) HEXAHEXB
SCHEMBL3963581 0.80 HDAC1 (0.38) TRPA1MAT2AUSP7
SCHEMBL3957991 0.80 IDH2 (0.39) MAT2A
SCHEMBL3957995 0.80 IDH2 (0.39) MAT2A
Hydrochloric Acid SCHEMBL3959461 0.79 IDH2 (0.39) MAT2A
Hydrochloric Acid SCHEMBL5132301 0.79 IDH2 (0.39) MAT2A
SCHEMBL3963648 0.76 RHOC (0.35)
SCHEMBL4178486 0.76 FADS1 (0.40) HEXAHEXBDCTPP1
SCHEMBL3960722 0.75 KDM4E (0.45) HEXAHEXBDCTPP1
SCHEMBL3958084 0.75 MAPT (0.45) KCNK3KCNK9

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 TRPA1 32/4885MAT2A 2720/4885USP7 4818/4885

“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.