SCHEMBL805390

SCHEMBL805390

NS(=O)(=O)OC[C@H]1CC[C@H](Nc2ncnc3[nH]c(-c4cccc5c4oc4ccccc45)nc23)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 14/20 0.48
UBA3 Q8TBC4 13/20 0.48
CDK2 P24941 1/20 0.33
SAE1 Q9UBE0 5/20 0.33
UBA2 Q9UBT2 4/20 0.33
UBA6 A0AVT1 1/20 0.33
ATG7 O95352 1/20 0.33
UBA7 P41226 1/20 0.33
PIM1 P11309 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CA2 P00918 1/20 0.32
GRK5 P34947 1/20 0.32
CSNK1A1 P48729 1/20 0.32

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
SCHEMBL782606 0.87 NAE1 (0.61) NAE1UBA3SAE1UBA2
SCHEMBL805369 0.82 NAE1 (0.46) NAE1UBA3CDK2SAE1UBA2
SCHEMBL10283691 0.82 NAE1 (0.52) NAE1UBA3SAE1UBA2UBA6
SCHEMBL805382 0.79 NAE1 (0.43) NAE1UBA3SAE1UBA2UBA6
SCHEMBL805383 0.76 NAE1 (0.56) NAE1UBA3CDK2
SCHEMBL805376 0.75 NAE1 (0.53) NAE1UBA3SAE1UBA2
SCHEMBL782553 0.74 NAE1 (0.67) NAE1UBA3SAE1UBA2
SCHEMBL782316 0.72 NAE1 (0.80) NAE1UBA3
SCHEMBL12453619 0.72 NAE1 (0.53) NAE1UBA3CDK2SAE1UBA2
SCHEMBL16155027 0.70 NAE1 (0.64) 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 6/4885CDK2 20/4885

“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.