SCHEMBL3319957

SCHEMBL3319957

O=C(Nc1ncnc2c1cnn2[C@@H]1O[C@H](/C=C/P(=O)(O)O)[C@H](O)[C@H]1O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.37
▸ RET P07949 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ TP53 P04637 3/20 0.37
▸ ATG7 O95352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ P2RY12 Q9H244 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL3319978 1.00 NT5E (0.37) NT5ERETKDRTP53ATG7
SCHEMBL3319923 1.00 NT5E (0.37) NT5ERETKDRTP53ATG7
SCHEMBL13396562 0.88 ALDH1A1 (0.38) NT5ERETKDRTP53ATG7
SCHEMBL3315707 0.85 P2RY12 (0.38) P2RY12
SCHEMBL3315696 0.85 P2RY12 (0.38) P2RY12
SCHEMBL13396408 0.85 P2RY12 (0.38) P2RY12
SCHEMBL3315728 0.85 P2RY12 (0.38) P2RY12
SCHEMBL3314965 0.85 RET (0.36) RETKDRTP53LMNAMAPT
SCHEMBL3315013 0.85 RET (0.36) RETKDRTP53LMNAMAPT
SCHEMBL3314380 0.82 P2RY12 (0.53) P2RY12

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 226/4885RET 3531/4885KDR 4053/4885

“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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