SCHEMBL3318862

SCHEMBL3318862

Nc1ncnc2c1ncn2C1OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(O)C1F

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NT5E P21589 6/20 0.73
ADORA1 P30542 2/20 0.70
TYMP P19971 9/20 0.67
PDE2A O00408 1/20 0.55
IMPDH2 P12268 1/20 0.54

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
SCHEMBL6271787 1.00 NT5E (0.73) NT5EADORA1TYMPPDE2AIMPDH2
SCHEMBL6271785 1.00 NT5E (0.73) NT5EADORA1TYMPPDE2AIMPDH2
SCHEMBL29799117 0.93 NT5E (0.65) NT5EADORA1TYMPIMPDH2
SCHEMBL8610899 0.92 ADORA1 (0.82) ADORA1TYMP
SCHEMBL31484253 0.92 ADORA1 (0.82) ADORA1TYMP
SCHEMBL8610903 0.92 ADORA1 (0.82) ADORA1TYMP
SCHEMBL10585039 0.86 NT5E (0.74) NT5EADORA1PDE2A
SCHEMBL10585049 0.86 NT5E (0.74) NT5EADORA1PDE2A
SCHEMBL30608664 0.85 TYMP (0.58) NT5EADORA1TYMP
SCHEMBL8359104 0.85 ADORA1 (0.75) ADORA1TYMP

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 NT5E 226/4885ADORA1 199/4885TYMP 40/4885

“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.