SCHEMBL805389

SCHEMBL805389

NS(=O)(=O)OC[C@H]1CC[C@H](Oc2ncnc3c2ncn3Cc2ccccc2)C1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 2/20 0.73
UBA3 Q8TBC4 2/20 0.73
SCN9A Q15858 3/20 0.52
DAPK1 P53355 1/20 0.51
HPGD P15428 1/20 0.46
ADORA2A P29274 1/20 0.46
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
HRH4 Q9H3N8 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
SCHEMBL783783 0.85 NAE1 (1.00) NAE1UBA3SCN9ADAPK1HPGD
SCHEMBL18526995 0.73 NAE1 (0.67) NAE1UBA3SCN9ADAPK1HPGD
SCHEMBL19185631 0.70 NAE1 (0.53) NAE1UBA3SCN9ADAPK1HPGD
SCHEMBL17115735 0.69 DAPK1 (1.00) SCN9ADAPK1HPGDADORA2API4KA
9-Benzyl-6-Methoxy-9H-Purine SCHEMBL28939425 0.69 HPGD (0.77) SCN9ADAPK1HPGDADORA2API4KA
SCHEMBL782316 0.69 NAE1 (0.80) NAE1UBA3PI4KAPI4K2BPI4K2A
SCHEMBL30983894 0.66 DAPK1 (0.65) NAE1UBA3SCN9ADAPK1HPGD
SCHEMBL805387 0.65 NAE1 (0.72) NAE1UBA3
9-Benzyl-9H-Adenine SCHEMBL104932 0.65 ADORA2A (1.00) DAPK1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL10233942 0.65 NAE1 (0.44) NAE1UBA3

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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 US disclosed
US-8008307-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-28 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 (2 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 6/4885SCN9A 4614/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885SCN9A 4614/4885

“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.