SCHEMBL18631305

SCHEMBL18631305

CO[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H](O)n1cnc2c(N(C)[C@H]3CCc4ccccc43)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 10/20 0.41
▸ UBA3 Q8TBC4 8/20 0.41
▸ UBA6 A0AVT1 3/20 0.41
▸ SAE1 Q9UBE0 3/20 0.41
▸ ATG7 O95352 1/20 0.41
▸ UBA7 P41226 1/20 0.41
▸ CA2 P00918 2/20 0.36
▸ GRK5 P34947 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ NEDD8 Q15843 1/20 0.36
▸ UBA2 Q9UBT2 1/20 0.36
▸ NT5E P21589 1/20 0.33
▸ PER2 O15055 1/20 0.32
▸ CRY1 Q16526 1/20 0.32
▸ CRY2 Q49AN0 1/20 0.32

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
SCHEMBL23080267 0.87 NAE1 (0.39) NAE1UBA3UBA6SAE1ATG7
SCHEMBL18630398 0.83 NAE1 (0.59) NAE1UBA3UBA6SAE1ATG7
SCHEMBL23080284 0.83 NAE1 (0.59) NAE1UBA3UBA6SAE1ATG7
SCHEMBL23080243 0.78 NAE1 (0.58) NAE1UBA3UBA6SAE1ATG7
SCHEMBL23080225 0.78 NAE1 (0.58) NAE1UBA3UBA6SAE1ATG7
SCHEMBL23080237 0.77 NAE1 (0.57) NAE1UBA3UBA6SAE1ATG7
SCHEMBL20007970 0.76 DNPH1 (0.38) NAE1UBA3
SCHEMBL1796354 0.75 UBA6 (0.69) NAE1UBA3UBA6SAE1ATG7
SCHEMBL17900861 0.75 UBA6 (0.69) NAE1UBA3UBA6SAE1ATG7
SCHEMBL1796353 0.75 UBA6 (0.69) NAE1UBA3UBA6SAE1ATG7

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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