SCHEMBL20938249

SCHEMBL20938249

CCCCC#Cc1cn([C@@H]2O[C@H](CO)C[C@H]2O)c2ncnc(N)c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 7/20 0.47
▸ DOT1L Q8TEK3 1/20 0.47
▸ ADORA3 P0DMS8 5/20 0.46
▸ ADORA1 P30542 3/20 0.45
▸ STING1 Q86WV6 1/20 0.41
▸ ADORA2A P29274 3/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ METTL3 Q86U44 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ CA2 P00918 2/20 0.38

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
SCHEMBL20938257 0.94 ADK (0.48) ADKDOT1LADORA3STING1PRMT5
SCHEMBL21585107 0.84 CA2 (0.49) ADKDOT1LADORA3ADORA1ADORA2A
SCHEMBL6061656 0.84 CA2 (0.49) ADKDOT1LADORA3ADORA1ADORA2A
SCHEMBL1738494 0.83 ADK (0.61) ADKDOT1LPRMT5METTL3NPC1
SCHEMBL6732487 0.83 ADK (0.61) ADKDOT1LPRMT5METTL3NPC1
SCHEMBL20938191 0.83 ADK (0.67) ADKDOT1LPRMT5METTL3NPC1
SCHEMBL20938256 0.81 ADK (0.48) ADKDOT1LADORA3ADORA2A
SCHEMBL20917719 0.81 ADK (0.48) ADKDOT1LADORA3ADORA2A
SCHEMBL20938188 0.80 ADK (0.47) ADKDOT1LPRMT5METTL3NPC1
SCHEMBL20917263 0.80 ADK (0.47) ADKDOT1LPRMT5METTL3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072628-B2 Nucleoside analogues for the treatment of parasitic infections UNIVERSITEIT GENT (BE) 2021-07-27 — — US disclosed
US-20210024566-A1 NUCLEOSIDE ANALOGUES FOR THE TREATMENT OF PARASITIC INFECTIONS UNIVERSITEIT GENT (BE) 2021-01-28 — — US disclosed
WO-2019076633-A1 NUCLEOSIDE ANALOGUES FOR THE TREATMENT OF PARASITIC INFECTIONS UNIVERSITEIT GENT (BE) 2019-04-25 — — WO 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 (2 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-11072628-B2 Nucleoside analogues for the treatment of parasitic infections PNP, NUDT1, SAMHD1 ADK 109/4885DOT1L 1419/4885ADORA3 72/4885
US-20210024566-A1 NUCLEOSIDE ANALOGUES FOR THE TREATMENT OF PARASITIC INFECTIONS PNP, NUDT1, SAMHD1 ADK 109/4885DOT1L 1419/4885ADORA3 72/4885

“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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