SCHEMBL805369

SCHEMBL805369

Cc1cccc(-c2nc3c(N[C@H]4CC[C@H](COS(N)(=O)=O)C4)ncnc3[nH]2)c1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 16/20 0.46
UBA3 Q8TBC4 15/20 0.46
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
BTK Q06187 2/20 0.35
SAE1 Q9UBE0 10/20 0.34
UBA2 Q9UBT2 9/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
UBA6 A0AVT1 1/20 0.33

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
SCHEMBL805407 0.87 NAE1 (0.61) NAE1UBA3SAE1UBA2UBA6
SCHEMBL10283339 0.86 NAE1 (0.62) NAE1UBA3BTKSAE1UBA2
SCHEMBL805377 0.86 NAE1 (0.49) NAE1UBA3SAE1UBA2UBA6
SCHEMBL12392799 0.86 NAE1 (0.64) NAE1UBA3SAE1UBA2
SCHEMBL10283691 0.84 NAE1 (0.52) NAE1UBA3SAE1UBA2UBA6
SCHEMBL805393 0.83 NAE1 (0.49) NAE1UBA3BTKSAE1UBA2
SCHEMBL805382 0.83 NAE1 (0.43) NAE1UBA3SAE1UBA2UBA6
SCHEMBL805390 0.82 NAE1 (0.48) NAE1UBA3CDK2SAE1UBA2
SCHEMBL805417 0.82 NAE1 (0.49) NAE1UBA3SAE1UBA2UBA6
SCHEMBL805375 0.82 NAE1 (0.43) NAE1UBA3BTKSAE1UBA2

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 6/4885CDK1 12/4885

“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.