SCHEMBL3955341

SCHEMBL3955341

COc1nc2ccccn2c(=O)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.48
HTR6 P50406 1/20 0.48
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GLA P06280 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41

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
SCHEMBL3960909 0.81 ELANE (0.47) ELANEHTR6KDM4EALDH1A1SMN1; SMN2
SCHEMBL10201502 0.81 ELANE (0.52) ELANEHTR6KDM4EALDH1A1SMN1; SMN2
SCHEMBL2820859 0.79 KMT2A (0.53) KDM4EALDH1A1SMN1; SMN2GLAGAA
SCHEMBL3959722 0.76 POLB (0.47) KDM4EALDH1A1SMN1; SMN2GLAGAA
SCHEMBL5131549 0.76 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2GLAGAA
SCHEMBL3090839 0.75 KDM4E (0.51) HTR6KDM4EALDH1A1SMN1; SMN2GLA
SCHEMBL3962921 0.75 KDM4E (0.47) ELANEHTR6KDM4EALDH1A1SMN1; SMN2
SCHEMBL890574 0.75 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2GLAGAA
SCHEMBL12045426 0.75 HTR6 (0.50) HTR6KDM4EALDH1A1SMN1; SMN2GLA
SCHEMBL3960302 0.75 ENPP2 (0.52) HTR6KDM4EALDH1A1SMN1; SMN2GLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ELANE 3762/4885HTR6 1124/4885KDM4E 3846/4885

“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.