SCHEMBL805371

SCHEMBL805371

NS(=O)(=O)OC[C@H]1CC[C@H](Nc2ncnc3[nH]c(-c4cccc(Cl)c4)nc23)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 15/20 0.45
UBA3 Q8TBC4 15/20 0.45
GSK3B P49841 1/20 0.43
SAE1 Q9UBE0 13/20 0.40
UBA2 Q9UBT2 13/20 0.40
MAP4K4 O95819 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
STK4 Q13043 1/20 0.39
STK3 Q13188 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
SCHEMBL805417 0.91 NAE1 (0.49) NAE1UBA3GSK3BSAE1UBA2
SCHEMBL10283691 0.89 NAE1 (0.52) NAE1UBA3SAE1UBA2
SCHEMBL783619 0.86 NAE1 (0.61) NAE1UBA3SAE1UBA2
SCHEMBL10283339 0.84 NAE1 (0.62) NAE1UBA3SAE1UBA2
SCHEMBL805407 0.82 NAE1 (0.61) NAE1UBA3SAE1UBA2
SCHEMBL805369 0.81 NAE1 (0.46) NAE1UBA3SAE1UBA2ADORA3
SCHEMBL805377 0.79 NAE1 (0.49) NAE1UBA3SAE1UBA2
SCHEMBL805393 0.78 NAE1 (0.49) NAE1UBA3SAE1UBA2
SCHEMBL805390 0.78 NAE1 (0.48) NAE1UBA3SAE1UBA2
SCHEMBL805382 0.77 NAE1 (0.43) NAE1UBA3SAE1UBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885GSK3B 1329/4885

“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.