SCHEMBL23080201

SCHEMBL23080201

CC(=O)NCc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@@H]2C(OS(N)(=O)=O)[C@]2(O)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.47
▸ ADORA3 P0DMS8 5/20 0.46
▸ TSHR P16473 2/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ STAT6 P42226 1/20 0.46
▸ GMNN O75496 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46

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
SCHEMBL18630409 0.82 SLC29A1 (0.49) ADORA3TSHRNFKB1BLMPMP22
SCHEMBL1797537 0.81 PAX8 (0.61) PAX8ADORA3TSHRADORA2AADORA1
SCHEMBL18630613 0.79 ADORA3 (0.52) ADORA3TSHR
SCHEMBL18630524 0.77 ADORA3 (0.56) ADORA3TSHRNFKB1
SCHEMBL23080199 0.77 SLC29A1 (0.49) PAX8ADORA3TSHRADORA2AADORA1
SCHEMBL18630476 0.77 DNPH1 (0.49) —
SCHEMBL12567224 0.76 ADORA3 (0.44) PAX8ADORA3TSHRADORA2AADORA1
SCHEMBL18630399 0.76 ADORA2B (0.46) ADORA3TSHRADORA2AADORA1NFKB1
SCHEMBL18631613 0.75 ATG7 (0.44) ADORA3TSHRADORA2AADORA1NFKB1
SCHEMBL18630397 0.75 NAE1 (0.67) —

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 PAX8 4188/4885ADORA3 3584/4885TSHR 4091/4885

“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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