SCHEMBL13790712

SCHEMBL13790712

C[C@@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADA P00813 1/20 0.61
▸ ADORA3 P0DMS8 4/20 0.59
▸ ADORA2A P29274 3/20 0.59
▸ ADORA2B P29275 3/20 0.59
▸ PI4KA P42356 2/20 0.59
▸ PI4K2B Q8TCG2 2/20 0.59
▸ PI4K2A Q9BTU6 2/20 0.59
▸ PI4KB Q9UBF8 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ ADORA1 P30542 2/20 0.59
▸ DPP4 P27487 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ SLC28A1 O00337 1/20 0.59
▸ MAP3K7 O43318 1/20 0.59
▸ SLC28A2 O43868 1/20 0.59
▸ GAPDH P04406 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ STAT6 P42226 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ DOT1L Q8TEK3 1/20 0.59

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
SCHEMBL20059210 1.00 ADA (0.61) ADAADORA3ADORA2AADORA2BPI4KA
SCHEMBL887899 1.00 ADA (0.61) ADAADORA3ADORA2AADORA2BPI4KA
SCHEMBL12378913 0.89 AHCY (0.53) ADAADORA3ADORA2AADORA2BPI4KA
SCHEMBL14064196 0.89 AHCY (0.53) ADAADORA3ADORA2AADORA2BPI4KA
Deoxyadenosine SCHEMBL27603573 0.87 HIF1A (0.72) ADAADORA3ADORA2AADORA2BPI4KA
Deoxyadenosine SCHEMBL23982174 0.87 HIF1A (0.71) ADAADORA3ADORA2AADORA2BPI4KA
Deoxyadenosine SCHEMBL19877 0.87 HIF1A (0.71) ADAADORA3ADORA2AADORA2BPI4KA
Deoxyadenosine SCHEMBL532825 0.87 HIF1A (0.71) ADAADORA3ADORA2AADORA2BPI4KA
Deoxyadenosine SCHEMBL21637036 0.87 HIF1A (0.71) ADAADORA3ADORA2AADORA2BPI4KA
SCHEMBL14565317 0.87 ADA (0.62) ADAADORA3ADORA2AADORA2BPI4KA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550442-B2 For therapy of subject infected with a retrovirus THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2009-06-23 — — US disclosed
US-20070065922-A1 Biocatalytic synthesis of aminodeoxy purine N9-beta-D-nucleosides containing 3-amino-3-deoxy-beta-D-ribofuranose, 3-amino-2,3-dideoxy-beta-D-ribofuranose, and 2-amino-2-deoxy-beta-D-ribofuranose as sugar moieties METKINEN OY (FI) 2007-03-22 — — 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-20070065922-A1 Biocatalytic synthesis of aminodeoxy purine N9-beta-D-nucleosides containing 3-amino-3-deoxy-beta-D-ribofuranose, 3-amino-2,3-dideoxy-beta-D-ribofuranose, and 2-amino-2-deoxy-beta-D-ribofuranose as sugar moieties DUT, UNG, GALE ADA 11/4885ADORA3 265/4885ADORA2A 264/4885

“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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