SCHEMBL5132445

SCHEMBL5132445

CCc1nc2ccccn2c(=O)c1-c1ccc(NC2CCNC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.43
KHK P50053 2/20 0.43
PIM1 P11309 3/20 0.42
PIM2 Q9P1W9 3/20 0.42
AXL P30530 3/20 0.38
HTR6 P50406 2/20 0.36
ADORA1 P30542 1/20 0.35
MAPK8 P45983 1/20 0.35
BRD4 O60885 1/20 0.35
GFER P55789 1/20 0.35
BPTF Q12830 2/20 0.35
MET P08581 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
SCHEMBL5132442 1.00 IRAK4 (0.43) IRAK4KHKPIM1PIM2AXL
Hydrochloric Acid SCHEMBL3961216 0.99 IRAK4 (0.43) IRAK4KHKPIM1PIM2AXL
Hydrochloric Acid SCHEMBL3961214 0.99 IRAK4 (0.43) IRAK4KHKPIM1PIM2AXL
SCHEMBL5131504 0.92 IRAK4 (0.42) IRAK4KHKPIM1PIM2AXL
SCHEMBL5131501 0.92 IRAK4 (0.42) IRAK4KHKPIM1PIM2AXL
Hydrochloric Acid SCHEMBL5128563 0.92 IRAK4 (0.41) IRAK4KHKPIM1PIM2AXL
Hydrochloric Acid SCHEMBL5128561 0.92 IRAK4 (0.41) IRAK4KHKPIM1PIM2AXL
SCHEMBL3957545 0.91 MAPT (0.42) IRAK4KHKPIM1PIM2AXL
SCHEMBL3964249 0.91 MAPT (0.42) IRAK4KHKPIM1PIM2AXL
SCHEMBL3961228 0.91 MAPT (0.42) IRAK4KHKPIM1PIM2AXL

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 2 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

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 1483/4885KHK 1892/4885PIM1 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.