SCHEMBL23080289

SCHEMBL23080289

CO[C@@H](Cn1cnc2c(CCc3ccccc3)ncnc21)[C@@H](COS(N)(=O)=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 1/20 0.41
▸ UBA3 Q8TBC4 1/20 0.41
▸ ADORA2A P29274 5/20 0.40
▸ ATG7 O95352 1/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ TMIGD3 P0DMS9 3/20 0.37
▸ ADORA1 P30542 3/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ PI4K2B Q8TCG2 1/20 0.37
▸ PI4K2A Q9BTU6 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ DAPK1 P53355 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
SCHEMBL20008037 0.83 ATG7 (0.40) NAE1UBA3ATG7CA1CA2
SCHEMBL23080204 0.77 P2RX7 (0.41) NAE1UBA3ADORA2APDE4APDE4B
SCHEMBL21283410 0.76 TMIGD3 (0.52) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL23080250 0.75 NAE1 (0.38) NAE1UBA3ADORA2AATG7PDE4A
SCHEMBL23080223 0.74 ATG7 (0.40) NAE1UBA3ATG7ALDH1A1CA1
SCHEMBL23080228 0.73 NAE1 (0.37) NAE1UBA3ADORA2APDE4APDE4B
SCHEMBL1795319 0.70 CA2 (0.55) NAE1UBA3ATG7ADORA2BCA2
SCHEMBL23080273 0.70 CA2 (0.55) NAE1UBA3ATG7ADORA2BCA2
SCHEMBL23080288 0.70 ATG7 (0.46) NAE1UBA3ATG7CA2
SCHEMBL17889858 0.70 AHCY (0.42) NAE1UBA3ATG7ADORA2BCA2

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-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 — — 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-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 NAE1 41/4885UBA3 12/4885ADORA2A 3026/4885

“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.

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