SCHEMBL805388

SCHEMBL805388

CN(c1ncnc2c1nc(-c1ccccc1)n2C)[C@H]1CC[C@H](COS(N)(=O)=O)C1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 3/20 0.73
UBA3 Q8TBC4 3/20 0.73
ADORA3 P0DMS8 6/20 0.43
ADORA1 P30542 6/20 0.43
ADORA2A P29274 5/20 0.43
ADORA2B P29275 4/20 0.43
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
JAK2 O60674 6/20 0.36
JAK3 P52333 6/20 0.36
JAK1 P23458 5/20 0.36
TYK2 P29597 4/20 0.36
PIK3CD O00329 2/20 0.35
FFAR2 O15552 1/20 0.35

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
SCHEMBL782859 0.85 NAE1 (1.00) NAE1UBA3ADORA3ADORA1ADORA2A
SCHEMBL12453486 0.80 ADORA3 (0.61) NAE1UBA3ADORA3ADORA1ADORA2A
SCHEMBL15007809 0.72 NAE1 (0.59) NAE1UBA3ADORA3ADORA1ADORA2A
SCHEMBL2881499 0.72 NAE1 (0.66) NAE1UBA3ADORA3ADORA1ADORA2A
SCHEMBL2881503 0.72 NAE1 (0.66) NAE1UBA3ADORA3ADORA1ADORA2A
SCHEMBL18540614 0.71 NAE1 (0.66) NAE1UBA3ADORA3ADORA1ADORA2A
SCHEMBL783772 0.70 NAE1 (0.76) NAE1UBA3ADORA3ADORA1ADORA2A
SCHEMBL782836 0.69 NAE1 (0.57) NAE1UBA3ADORA3ADORA1ADORA2A
SCHEMBL4064829 0.63 ADORA2A (1.00) ADORA3ADORA1ADORA2AADORA2BPI4KA
SCHEMBL261659 0.62 JAK2 (0.45) JAK2JAK3JAK1TYK2

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 6/4885ADORA3 3846/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 NAE1 24/4885UBA3 6/4885ADORA3 3846/4885

“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.