SCHEMBL18630545

SCHEMBL18630545

NS(=O)(=O)NC1[C@H]2O[C@@H](n3cnc4c(N[C@@H]5CCc6ccccc65)ncnc43)[C@H](O)[C@@]12O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 3/20 0.63
▸ UBA3 Q8TBC4 2/20 0.63
▸ UBA6 A0AVT1 1/20 0.63
▸ ATG7 O95352 1/20 0.63
▸ UBA7 P41226 1/20 0.63
▸ SAE1 Q9UBE0 1/20 0.63

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
SCHEMBL18630470 1.00 NAE1 (0.63) NAE1UBA3UBA6ATG7UBA7
SCHEMBL18630548 0.87 NAE1 (0.67) NAE1UBA3UBA6ATG7UBA7
SCHEMBL18630397 0.87 NAE1 (0.67) NAE1UBA3UBA6ATG7UBA7
SCHEMBL18631624 0.84 NAE1 (0.56) NAE1UBA3UBA6ATG7UBA7
SCHEMBL18631612 0.81 NAE1 (0.63) NAE1UBA3UBA6ATG7UBA7
SCHEMBL18630408 0.81 NAE1 (0.62) NAE1UBA3UBA6ATG7UBA7
SCHEMBL18630428 0.81 NAE1 (0.62) NAE1UBA3UBA6ATG7UBA7
SCHEMBL18630406 0.80 NAE1 (0.66) NAE1UBA3UBA6ATG7UBA7
SCHEMBL18630522 0.79 ADORA3 (0.56) —
SCHEMBL1800297 0.79 UBA6 (0.80) NAE1UBA3UBA6ATG7UBA7

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-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — 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-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 NAE1 257/4885UBA3 235/4885UBA6 2037/4885

“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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