SCHEMBL3965599

SCHEMBL3965599

CCCCc1nc2ccccn2c(=O)c1-c1ccc(N[C@@H]2CCCNC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.42
MAPT P10636 1/20 0.41
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
CCNT1 O60563 2/20 0.37
CCNK O75909 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
CDK7 P50613 2/20 0.37
CDK9 P50750 2/20 0.37
CCNH P51946 2/20 0.37
MNAT1 P51948 2/20 0.37
CDK12 Q9NYV4 2/20 0.37
ADORA1 P30542 1/20 0.36
BRD4 O60885 1/20 0.36
HTR6 P50406 3/20 0.36
BACE1 P56817 1/20 0.36
GFER P55789 1/20 0.36
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 2/20 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
SCHEMBL3965605 1.00 IRAK4 (0.42) IRAK4MAPTAGTR1AGTR2CCNT1
Hydrochloric Acid SCHEMBL3955109 0.99 IRAK4 (0.42) IRAK4MAPTAGTR1AGTR2CCNT1
Hydrochloric Acid SCHEMBL3955100 0.99 IRAK4 (0.42) IRAK4MAPTAGTR1AGTR2CCNT1
SCHEMBL3961228 0.95 MAPT (0.42) IRAK4MAPTAGTR1AGTR2PIM1
SCHEMBL3957545 0.95 MAPT (0.42) IRAK4MAPTAGTR1AGTR2PIM1
SCHEMBL3964249 0.95 MAPT (0.42) IRAK4MAPTAGTR1AGTR2PIM1
Hydrochloric Acid SCHEMBL3957988 0.94 MAPT (0.41) IRAK4MAPTAGTR1AGTR2PIM1
Hydrochloric Acid SCHEMBL5128576 0.94 MAPT (0.41) IRAK4MAPTAGTR1AGTR2PIM1
Hydrochloric Acid SCHEMBL3957990 0.94 MAPT (0.41) IRAK4MAPTAGTR1AGTR2PIM1
SCHEMBL3959964 0.90 MAPT (0.43) IRAK4MAPTAGTR1AGTR2ADORA1

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 IRAK4 1483/4885MAPT 183/4885AGTR1 146/4885

“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.