SCHEMBL20008056

SCHEMBL20008056

COC1Cc2ccccc2C1Nc1ncnc2c1ncn2C[C@H](O)[C@@H](COS(N)(=O)=O)OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 17/20 0.48
▸ UBA3 Q8TBC4 16/20 0.48
▸ UBA6 A0AVT1 2/20 0.42
▸ SAE1 Q9UBE0 2/20 0.42
▸ ATG7 O95352 1/20 0.42
▸ UBA7 P41226 1/20 0.42
▸ CA2 P00918 2/20 0.35
▸ GRK5 P34947 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ NEDD8 Q15843 1/20 0.35
▸ UBA2 Q9UBT2 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL18630514 0.85 NAE1 (0.58) NAE1UBA3UBA6SAE1ATG7
SCHEMBL21283410 0.78 TMIGD3 (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL21283358 0.77 NAE1 (0.42) NAE1UBA3UBA6SAE1ATG7
SCHEMBL17898105 0.77 NAE1 (0.71) NAE1UBA3UBA6SAE1ATG7
SCHEMBL23080250 0.76 NAE1 (0.38) NAE1UBA3UBA6SAE1ATG7
SCHEMBL23080267 0.76 NAE1 (0.39) NAE1UBA3UBA6SAE1ATG7
SCHEMBL23080204 0.75 P2RX7 (0.41) NAE1UBA3PDE4APDE4BPDE4C
SCHEMBL18631615 0.75 NAE1 (0.51) NAE1UBA3UBA6SAE1ATG7
SCHEMBL18631311 0.74 ADORA3 (0.41) NAE1UBA3PDE4APDE4BPDE4C
SCHEMBL21283380 0.73 NAE1 (0.58) 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-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 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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