SCHEMBL18631605

SCHEMBL18631605

COc1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@@H]3C(NS(N)(=O)=O)[C@]3(O)[C@H]2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 13/20 0.59
▸ ATG7 O95352 1/20 0.46
▸ STAT6 P42226 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ ABCC4 O15439 1/20 0.45
▸ SLC28A3 Q9HAS3 1/20 0.45
▸ BLM P54132 1/20 0.45

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
SCHEMBL1795761 0.81 SLC29A1 (0.76) SLC29A1ATG7STAT6TP53CYP3A4
SCHEMBL5273825 0.77 SLC29A1 (0.77) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL18630522 0.75 ADORA3 (0.56) SLC29A1TP53
SCHEMBL24505818 0.73 SLC29A1 (0.76) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL18630414 0.72 NNMT (0.40) —
SCHEMBL20434965 0.72 SLC29A1 (0.74) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL20434964 0.72 SLC29A1 (0.74) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL20435031 0.71 SLC29A1 (0.72) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL20008053 0.71 ADORA2A (0.45) TP53CYP3A4HIF1A
SCHEMBL20434985 0.70 SLC29A1 (0.70) SLC29A1STAT6TP53CYP3A4HIF1A

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 SLC29A1 1761/4885ATG7 2417/4885STAT6 3377/4885

“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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