SCHEMBL13396516

SCHEMBL13396516

Nc1nc(N)c2ncn([C@@H]3O[C@H](/C=C/P(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]3O)c2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.47
▸ P2RY1 P47900 6/20 0.45
▸ ENPP1 P22413 2/20 0.45
▸ P2RY12 Q9H244 1/20 0.45
▸ P2RY2 P41231 1/20 0.45
▸ P2RY11 Q96G91 3/20 0.44
▸ P2RX1 P51575 2/20 0.44
▸ P2RX3 P56373 2/20 0.44
▸ P2RY6 Q15077 1/20 0.44
▸ P2RX4 Q99571 1/20 0.44
▸ RNASEL Q05823 1/20 0.42
▸ IMPDH2 P12268 1/20 0.42
▸ IMPDH1 P20839 1/20 0.42
▸ HINT1 P49773 1/20 0.42
▸ CA5A P35218 1/20 0.41
▸ GPR17 Q13304 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41

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
SCHEMBL13396546 0.88 P2RY2 (0.56) P2RY1P2RY2P2RY11P2RX1P2RX3
SCHEMBL13396544 0.88 NT5E (0.49) NT5EIMPDH2IMPDH1HINT1CA5A
SCHEMBL3319958 0.88 NT5E (0.49) NT5EIMPDH2IMPDH1HINT1CA5A
SCHEMBL3319967 0.88 NT5E (0.49) NT5EIMPDH2IMPDH1HINT1CA5A
SCHEMBL13396541 0.85 POLB (0.53) NT5EP2RY2P2RY6
SCHEMBL14150113 0.84 NT5E (0.44) NT5EP2RY1ENPP1P2RY12P2RY2
SCHEMBL13396774 0.83 P2RY2 (0.35) NT5EP2RY1ENPP1P2RY12P2RY2
SCHEMBL12932296 0.80 P2RY1 (0.58) NT5EP2RY1ENPP1P2RY12P2RY2
SCHEMBL15703855 0.80 P2RY1 (0.58) NT5EP2RY1ENPP1P2RY12P2RY2
SCHEMBL14102502 0.79 NT5E (0.40) NT5EHINT1CA5A

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
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 — — 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-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 NT5E 226/4885P2RY1 505/4885ENPP1 43/4885

“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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