SCHEMBL3961562

SCHEMBL3961562

O=c1c(-c2ccc(NC3CCNC3)cc2)c(N2CCCC2)nc2ccccn12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
IRAK4 Q9NWZ3 6/20 0.43
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
GFER P55789 1/20 0.40
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL3960967 1.00 ALDH1A1 (0.48) ALDH1A1L3MBTL1IRAK4POLBGAA
Hydrochloric Acid SCHEMBL5128880 0.99 ALDH1A1 (0.47) ALDH1A1L3MBTL1IRAK4POLBGAA
Hydrochloric Acid SCHEMBL5128877 0.99 ALDH1A1 (0.47) ALDH1A1L3MBTL1IRAK4POLBGAA
Hydrochloric Acid SCHEMBL5128875 0.98 ALDH1A1 (0.47) ALDH1A1L3MBTL1IRAK4POLBGAA
SCHEMBL5131444 0.84 IRAK4 (0.45) ALDH1A1IRAK4POLBMAPTPIM1
SCHEMBL5131442 0.84 IRAK4 (0.45) ALDH1A1IRAK4POLBMAPTPIM1
Hydrochloric Acid SCHEMBL5132006 0.83 IRAK4 (0.45) ALDH1A1IRAK4POLBMAPTPIM1
Hydrochloric Acid SCHEMBL5132003 0.83 IRAK4 (0.45) ALDH1A1IRAK4POLBMAPTPIM1
SCHEMBL5129132 0.82 USP7 (0.43) ALDH1A1IRAK4GFERPIM1PIM2
SCHEMBL5132379 0.82 USP7 (0.43) ALDH1A1IRAK4GFERPIM1PIM2

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 4 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
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 ALDH1A1 1009/4885L3MBTL1 2597/4885IRAK4 1483/4885

“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.