SCHEMBL3957415

SCHEMBL3957415

CCCOc1nc2ccccn2c(=O)c1-c1ccc(NC2CCNC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.42
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
BACE1 P56817 2/20 0.36
TRIM33 Q9UPN9 1/20 0.36
FLT3 P36888 1/20 0.35
KHK P50053 1/20 0.35
MAPK8 P45983 1/20 0.35
GFER P55789 1/20 0.34
PDE5A O76074 1/20 0.34
BPTF Q12830 2/20 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
SCHEMBL3957413 1.00 IRAK4 (0.42) IRAK4PIM1PIM2BACE1TRIM33
Trifluoroacetic Acid SCHEMBL3965086 0.93 HRH4 (0.40) IRAK4PIM1PIM2TRIM33GFER
SCHEMBL5128320 0.88 IRAK4 (0.43) IRAK4PIM1PIM2FLT3
SCHEMBL5131504 0.84 IRAK4 (0.42) IRAK4PIM1PIM2KHKMAPK8
SCHEMBL5131501 0.84 IRAK4 (0.42) IRAK4PIM1PIM2KHKMAPK8
SCHEMBL5132442 0.84 IRAK4 (0.43) IRAK4PIM1PIM2KHKMAPK8
SCHEMBL5132445 0.84 IRAK4 (0.43) IRAK4PIM1PIM2KHKMAPK8
Hydrochloric Acid SCHEMBL5128561 0.84 IRAK4 (0.41) IRAK4PIM1PIM2KHKMAPK8
Hydrochloric Acid SCHEMBL5128563 0.84 IRAK4 (0.41) IRAK4PIM1PIM2KHKMAPK8
Hydrochloric Acid SCHEMBL3961216 0.83 IRAK4 (0.43) IRAK4PIM1PIM2KHKMAPK8

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 6 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 claimed
US-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 US claimed
WO-2008097991-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 WO 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
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 IRAK4 1483/4885PIM1 4321/4885PIM2 4345/4885

“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.