SCHEMBL3963581

SCHEMBL3963581

CCCCc1nc2cc(C(F)(F)F)ccn2c(=O)c1Br

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.38
MAPT P10636 1/20 0.37
USP7 Q93009 1/20 0.36
TRPA1 O75762 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAT2A P31153 1/20 0.33

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
SCHEMBL3958313 0.80 TRPA1 (0.39) USP7TRPA1MAT2A
SCHEMBL3959035 0.77 MAPT (0.60) MAPTADORA3ADORA1
SCHEMBL23414927 0.77 USP7 (0.42) USP7TRPA1MAT2A
SCHEMBL3957991 0.71 IDH2 (0.39) MAT2A
SCHEMBL3957995 0.71 IDH2 (0.39) MAT2A
SCHEMBL3954277 0.71 KDM4E (0.44) HDAC1MAPT
Hydrochloric Acid SCHEMBL3959461 0.70 IDH2 (0.39) MAT2A
Hydrochloric Acid SCHEMBL5132301 0.70 IDH2 (0.39) MAT2A
SCHEMBL23414655 0.70 USP7 (0.36) HDAC1USP7TRPA1ADORA3ADORA2A
SCHEMBL3958536 0.70 PABPC1 (0.46) HDAC1MAPTADORA3ADORA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HDAC1 1207/4885MAPT 183/4885USP7 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.