SCHEMBL12170653

SCHEMBL12170653

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.56
▸ ADORA2A P29274 3/20 0.56
▸ PI4KA P42356 2/20 0.56
▸ PI4K2B Q8TCG2 2/20 0.56
▸ PI4K2A Q9BTU6 2/20 0.56
▸ PI4KB Q9UBF8 2/20 0.56
▸ DPP4 P27487 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ SLC28A1 O00337 1/20 0.56
▸ MAP3K7 O43318 1/20 0.56
▸ SLC28A2 O43868 1/20 0.56
▸ GAPDH P04406 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ADORA2B P29275 1/20 0.56
▸ ADORA1 P30542 1/20 0.56
▸ STAT6 P42226 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ DOT1L Q8TEK3 1/20 0.56
▸ SLC29A1 Q99808 1/20 0.56

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
SCHEMBL561516 0.88 PRMT5 (0.64) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL27918251 0.88 PRMT5 (0.64) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL561515 0.88 PRMT5 (0.64) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL561654 0.88 PRMT5 (0.64) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL12170639 0.87 PI4KA (0.57) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL15203798 0.86 ADORA3 (0.54) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL17445618 0.84 ADORA3 (0.55) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL13575570 0.84 AHCY (0.53) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL31652943 0.84 PRMT5 (0.59) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL31652766 0.84 PRMT5 (0.59) ADORA3ADORA2API4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280735-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2016-09-29 — — US disclosed
US-20120232029-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS PHARMASSET, INC. (US) 2012-09-13 — — 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 (2 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-20120232029-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS HAVCR2, NUDT1, NT5C3B ADORA3 102/4885ADORA2A 88/4885PI4KA 1143/4885
US-20160280735-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS HAVCR2, NUDT1, NT5C3B ADORA3 102/4885ADORA2A 88/4885PI4KA 1143/4885

“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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