SCHEMBL3313715

SCHEMBL3313715

CNc1nc(N)nc2c1ncn2C1OC(/C=C/P(=O)(O)O)CC1O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 13/20 0.53
▸ ADORA1 P30542 10/20 0.53
▸ ADORA2B P29275 8/20 0.53
▸ ADORA2A P29274 4/20 0.44
▸ NT5E P21589 1/20 0.41
▸ PGK1 P00558 1/20 0.40
▸ PGK2 P07205 1/20 0.40

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
SCHEMBL13396844 1.00 ADORA3 (0.53) ADORA3ADORA1ADORA2BADORA2ANT5E
SCHEMBL3313727 1.00 ADORA3 (0.53) ADORA3ADORA1ADORA2BADORA2ANT5E
SCHEMBL3319958 0.88 NT5E (0.49) ADORA3ADORA2ANT5E
SCHEMBL3319967 0.88 NT5E (0.49) ADORA3ADORA2ANT5E
SCHEMBL13396544 0.88 NT5E (0.49) ADORA3ADORA2ANT5E
SCHEMBL14102502 0.87 NT5E (0.40) ADORA3ADORA1ADORA2BADORA2ANT5E
SCHEMBL3316834 0.86 ADORA3 (0.62) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL3316851 0.86 ADORA3 (0.62) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL13396649 0.86 ADORA3 (0.62) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL13396437 0.79 PNP (0.52) NT5E

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-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 — — US disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 — — US disclosed
WO-2008100447-A2 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2008-08-21 — — 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 (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-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 ADORA3 462/4885ADORA1 199/4885ADORA2B 873/4885

“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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