SCHEMBL3955431

SCHEMBL3955431

CC(C)Nc1nc2ccccn2c(=O)c1Br

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.53
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL3964259 0.78 MAPT (0.46) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL3962921 0.78 KDM4E (0.47) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL12517343 0.77 ALDH1A1 (0.54) USP7KDM4EALDH1A1GLAGAA
SCHEMBL2228404 0.77 ALDH1A1 (0.54) USP7KDM4EALDH1A1GLAGAA
SCHEMBL3960626 0.77 USP7 (0.53) USP7KDM4EALDH1A1GLAGAA
SCHEMBL3081043 0.77 KDM4E (0.46) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL890519 0.75 KDM4E (0.45) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL3098056 0.75 KDM4E (0.45) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL2820859 0.75 KMT2A (0.53) KDM4EALDH1A1GLAGAASMN1; SMN2
Bromide SCHEMBL3958091 0.72 MAPT (0.43) KDM4EALDH1A1GLAGAASMN1; SMN2

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 USP7 4818/4885KDM4E 3846/4885ALDH1A1 1009/4885

“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.