SCHEMBL5132270

SCHEMBL5132270

CCCCc1nc2ccccn2c(=O)c1-c1cccc(NC2CCNC2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.41
IRAK4 Q9NWZ3 4/20 0.41
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
MAPT P10636 2/20 0.40
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
AXL P30530 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
Hydrochloric Acid SCHEMBL3953173 0.99 HTR6 (0.41) HTR6IRAK4PIM1PIM2MAPT
SCHEMBL3961228 0.90 MAPT (0.42) IRAK4PIM1PIM2MAPTAGTR1
SCHEMBL3964249 0.90 MAPT (0.42) IRAK4PIM1PIM2MAPTAGTR1
SCHEMBL3957545 0.90 MAPT (0.42) IRAK4PIM1PIM2MAPTAGTR1
Hydrochloric Acid SCHEMBL3957990 0.90 MAPT (0.41) IRAK4PIM1PIM2MAPTAGTR1
Hydrochloric Acid SCHEMBL5128576 0.90 MAPT (0.41) IRAK4PIM1PIM2MAPTAGTR1
Hydrochloric Acid SCHEMBL3957988 0.90 MAPT (0.41) IRAK4PIM1PIM2MAPTAGTR1
SCHEMBL5129439 0.86 MAPT (0.41) HTR6IRAK4PIM1PIM2MAPT
SCHEMBL5129434 0.86 MAPT (0.41) HTR6IRAK4PIM1PIM2MAPT
SCHEMBL3959964 0.86 MAPT (0.43) IRAK4PIM1PIM2MAPTAGTR1

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 5 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
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

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 HTR6 1124/4885IRAK4 1483/4885PIM1 4321/4885

“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.