SCHEMBL4824929

SCHEMBL4824929

Nc1ccc2nc(-c3ccc(Br)cc3)cc(N)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPRS1 P07814 3/20 0.68
SLC2A1 P11166 1/20 0.61
ACHE P22303 1/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
TLR9 Q9NR96 1/20 0.43
ESRRB O95718 1/20 0.43
ESR1 P03372 1/20 0.43
ESRRA P11474 1/20 0.43
ESR2 Q92731 1/20 0.43
AGTR1 P30556 1/20 0.43
LMNA P02545 1/20 0.42
P4HB P07237 1/20 0.42
HPGD P15428 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
SCHEMBL4824379 0.85 ACHE (0.71) EPRS1ACHEALDH1A1MAPTGAA
SCHEMBL4824891 0.84 ACHE (0.51) EPRS1SLC2A1ACHEALDH1A1MAPT
SCHEMBL4830606 0.84 ACHE (0.51) EPRS1SLC2A1ACHEALDH1A1MAPT
SCHEMBL5349212 0.84 ACHE (0.51) EPRS1SLC2A1ACHEALDH1A1MAPT
SCHEMBL4825564 0.83 ACHE (0.51) EPRS1SLC2A1ACHEALDH1A1MAPT
SCHEMBL5048878 0.82 ACHE (0.53) EPRS1SLC2A1ACHEALDH1A1MAPT
SCHEMBL437369 0.82 ACHE (0.67) EPRS1SLC2A1ACHEALDH1A1MAPT
SCHEMBL15919363 0.82 ACHE (0.77) EPRS1SLC2A1ACHEALDH1A1MAPT
SCHEMBL117388 0.81 EPRS1 (1.00) EPRS1ALDH1A1MAPTGAAKDM4E
SCHEMBL4824378 0.80 KDM4E (0.54) EPRS1SLC2A1ACHEALDH1A1MAPT

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
US-7348340-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2008-03-25 US disclosed
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2007-06-07 US disclosed
US-7189714-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2007-03-13 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-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G EPRS1 2043/4885SLC2A1 3001/4885ACHE 140/4885

“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.