SCHEMBL805391

SCHEMBL805391

NS(=O)(=O)OC[C@@H]1CC[C@H](Nc2ccnc(NCC3CCCCC3)n2)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 3/20 0.68
UBA3 Q8TBC4 3/20 0.68
CTSK P43235 1/20 0.41
PAK4 O96013 1/20 0.38
PAK1 Q13153 1/20 0.38
MERTK Q12866 1/20 0.38
CDC7 O00311 2/20 0.37
AURKB Q96GD4 2/20 0.37
AURKA O14965 1/20 0.37
ROCK2 O75116 1/20 0.37
CCNB2 O95067 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
RET P07949 1/20 0.37
CCNB1 P14635 1/20 0.37
PRKACA P17612 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37

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
SCHEMBL783253 0.81 NAE1 (1.00) NAE1UBA3
SCHEMBL17145359 0.81 NAE1 (1.00) NAE1UBA3
SCHEMBL10283295 0.81 NAE1 (0.48) NAE1UBA3MAPKAPK2HRH4GPR39
SCHEMBL805367 0.77 NAE1 (0.43) NAE1UBA3MERTKCDC7GSK3B
SCHEMBL805406 0.74 NAE1 (0.45) NAE1UBA3CCNT1
SCHEMBL10283672 0.66 NAE1 (0.38) NAE1UBA3IRAK4
SCHEMBL28157921 0.65 MERTK (0.55) CTSKMERTKCDC7AURKBAURKA
SCHEMBL28158542 0.65 AURKB (0.56) NAE1UBA3CTSKMERTKCDC7
SCHEMBL12451869 0.65 NAE1 (0.70) NAE1UBA3
SCHEMBL13403220 0.64 CDC7 (0.51) NAE1UBA3PAK4PAK1CDC7

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 6/4885CTSK 305/4885

“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.