SCHEMBL20008410

SCHEMBL20008410

CO[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H](O)n1cnc2c(C3CC3)ncnc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATG7 O95352 11/20 0.36
▸ NAE1 Q13564 2/20 0.33
▸ UBA3 Q8TBC4 2/20 0.33
▸ UBA6 A0AVT1 1/20 0.33
▸ UBA7 P41226 1/20 0.33
▸ SAE1 Q9UBE0 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ LARS1 Q9P2J5 1/20 0.31
▸ AHCY P23526 1/20 0.31

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
SCHEMBL23080263 0.83 ATG7 (0.32) ATG7NAE1UBA3UBA6UBA7
SCHEMBL20008382 0.82 ADORA2A (0.32) ATG7CYP1A2CYP3A4BLMSMN1; SMN2
SCHEMBL20007970 0.80 DNPH1 (0.38) NAE1UBA3
SCHEMBL23080284 0.79 NAE1 (0.59) ATG7NAE1UBA3UBA6UBA7
SCHEMBL20008037 0.78 ATG7 (0.40) ATG7NAE1UBA3
SCHEMBL20008059 0.77 RET (0.33) ATG7NAE1UBA3UBA6UBA7
SCHEMBL23080286 0.77 ADORA2A (0.36) NAE1UBA3
SCHEMBL20008103 0.77 ATG7 (0.34) ATG7
SCHEMBL20008098 0.77 CDK1 (0.41) —
SCHEMBL23080208 0.76 ADK (0.32) —

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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 ATG7 2417/4885NAE1 257/4885UBA3 235/4885

“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.

Send feedback