SCHEMBL17900861

SCHEMBL17900861

CN(c1ncnc2c1ncn2C1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O)[C@H]1CCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ UBA6 A0AVT1 1/20 0.69
▸ ATG7 O95352 1/20 0.69
▸ UBA7 P41226 1/20 0.69
▸ NAE1 Q13564 1/20 0.69
▸ UBA3 Q8TBC4 1/20 0.69
▸ SAE1 Q9UBE0 1/20 0.69
▸ TRPM2 O94759 1/20 0.49
▸ ADORA2A P29274 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ NT5E P21589 1/20 0.47

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
SCHEMBL1796354 1.00 UBA6 (0.69) UBA6ATG7UBA7NAE1UBA3
SCHEMBL1796353 1.00 UBA6 (0.69) UBA6ATG7UBA7NAE1UBA3
SCHEMBL20008036 0.84 NAE1 (0.48) UBA6ATG7UBA7NAE1UBA3
SCHEMBL32662531 0.81 NAE1 (1.00) UBA6ATG7UBA7NAE1UBA3
SCHEMBL1797979 0.81 NAE1 (1.00) UBA6ATG7UBA7NAE1UBA3
SCHEMBL1797199 0.81 NAE1 (1.00) UBA6ATG7UBA7NAE1UBA3
SCHEMBL11889885 0.81 NAE1 (1.00) UBA6ATG7UBA7NAE1UBA3
SCHEMBL18631114 0.81 NAE1 (0.46) UBA6ATG7UBA7NAE1UBA3
SCHEMBL32662695 0.80 SLC29A1 (0.60) UBA6ATG7UBA7NAE1UBA3
SCHEMBL32661821 0.79 KDM4E (0.63) UBA6ATG7UBA7NAE1UBA3

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-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 — — 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-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 UBA6 2037/4885ATG7 2417/4885UBA7 2700/4885

“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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