SCHEMBL5131444

SCHEMBL5131444

Cc1nc2ccccn2c(=O)c1-c1ccc(NC2CCNC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.45
PIM1 P11309 3/20 0.44
PIM2 Q9P1W9 3/20 0.44
BRD4 O60885 3/20 0.43
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KHK P50053 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SSTR4 P31391 2/20 0.39
ADORA1 P30542 1/20 0.39
AXL P30530 3/20 0.38
HTR6 P50406 2/20 0.37

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
SCHEMBL5131442 1.00 IRAK4 (0.45) IRAK4PIM1PIM2BRD4KDM4E
Hydrochloric Acid SCHEMBL5132003 0.99 IRAK4 (0.45) IRAK4PIM1PIM2BRD4KDM4E
Hydrochloric Acid SCHEMBL5132006 0.99 IRAK4 (0.45) IRAK4PIM1PIM2BRD4KDM4E
SCHEMBL3956316 0.87 KDM4E (0.46) IRAK4PIM1PIM2KDM4EALDH1A1
SCHEMBL5132445 0.87 IRAK4 (0.43) IRAK4PIM1PIM2BRD4KHK
SCHEMBL5132442 0.87 IRAK4 (0.43) IRAK4PIM1PIM2BRD4KHK
SCHEMBL5128320 0.87 IRAK4 (0.43) IRAK4PIM1PIM2BRD4KDM4E
Hydrochloric Acid SCHEMBL3962445 0.86 KDM4E (0.45) IRAK4PIM1PIM2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3961214 0.86 IRAK4 (0.43) IRAK4PIM1PIM2BRD4KHK
Hydrochloric Acid SCHEMBL3961216 0.86 IRAK4 (0.43) IRAK4PIM1PIM2BRD4KHK

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 1483/4885PIM1 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.