SCHEMBL3660257

SCHEMBL3660257

C[C@@H]1[C@H](n2cnc3c(O)ncnc32)O[C@](C#N)(CO)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 2/20 0.40
▸ PI4K2B Q8TCG2 2/20 0.40
▸ PI4K2A Q9BTU6 2/20 0.40
▸ PI4KB Q9UBF8 2/20 0.40
▸ AHCY P23526 1/20 0.37
▸ ADORA3 P0DMS8 4/20 0.37
▸ SLC29A1 Q99808 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SLC28A1 O00337 1/20 0.37
▸ MAP3K7 O43318 1/20 0.37
▸ SLC28A2 O43868 1/20 0.37
▸ GAPDH P04406 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ STAT6 P42226 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL3659974 0.90 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL3659976 0.90 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL3662558 0.88 ADORA3 (0.51) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL13180083 0.87 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL18947545 0.86 ADORA3 (0.36) ADORA3ADORA2AADORA2BADORA1TP53
SCHEMBL3654249 0.85 CYP2C19 (0.41) ADORA3SLC29A1ADORA2AADORA2BADORA1
SCHEMBL18947542 0.84 ADORA2A (0.36) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL15203968 0.82 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL15203967 0.82 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL15203793 0.81 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBAHCY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227482-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS Pharmasset, Inc. (US) 2010-09-15 — — EP claimed
WO-2009067409-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS PHARMASSET, INC. (US) 2009-05-28 — — WO claimed
US-9676808-B2 2′,4′-substituted nucleosides as antiviral agents GILEAD PHARMASSET LLC (US) 2017-06-13 — — US disclosed
US-20160280735-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2016-09-29 — — US disclosed
US-20160280735-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2016-09-29 — — US disclosed
EP-2848624-A1 2',4'-substituted nucleosides as antiviral agents Gilead Pharmasset LLC (US) 2015-03-18 — — EP disclosed
EP-2631239-A1 2',4'-substituted nucleosides as antiviral agents Gilead Pharmasset LLC (US) 2013-08-28 — — EP disclosed
US-20120232029-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS PHARMASSET, INC. (US) 2012-09-13 — — US disclosed
US-20120232029-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS PHARMASSET, INC. (US) 2012-09-13 — — US disclosed
US-20090318380-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS PHARMASSET, INC. (US) 2009-12-24 — — US disclosed
US-20090318380-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS PHARMASSET, INC. (US) 2009-12-24 — — US disclosed
WO-2009067409-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS PHARMASSET, INC. (US) 2009-05-28 — — 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 (3 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-20090318380-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS HAVCR2, NUDT1, NT5C3B PI4KA 1143/4885PI4K2B 1832/4885PI4K2A 1611/4885
US-20120232029-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS HAVCR2, NUDT1, NT5C3B PI4KA 1143/4885PI4K2B 1832/4885PI4K2A 1611/4885
US-20160280735-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS HAVCR2, NUDT1, NT5C3B PI4KA 1143/4885PI4K2B 1832/4885PI4K2A 1611/4885

“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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