SCHEMBL17359768

SCHEMBL17359768

C[C@@]1(F)[C@H](O)[C@](CO)(CN=[N+]=[N-])O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 8/20 0.48
▸ ADORA2A P29274 5/20 0.48
▸ ALDH1A1 P00352 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ PI4KA P42356 2/20 0.43
▸ PI4K2B Q8TCG2 2/20 0.43
▸ PI4K2A Q9BTU6 2/20 0.43
▸ PI4KB Q9UBF8 2/20 0.43
▸ ADORA3 P0DMS8 4/20 0.42
▸ SLC28A1 O00337 2/20 0.40
▸ SLC28A2 O43868 2/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAP3K7 O43318 1/20 0.40
▸ GAPDH P04406 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL17358613 0.87 AHCY (0.40) AHCYADORA2AALDH1A1HIF1AADORA2B
SCHEMBL16644536 0.86 ADORA2A (0.54) AHCYADORA2API4KAPI4K2BPI4K2A
SCHEMBL16373932 0.80 AHCY (0.56) AHCYADORA2AALDH1A1HIF1API4KA
SCHEMBL16374027 0.80 AHCY (0.56) AHCYADORA2AALDH1A1HIF1API4KA
SCHEMBL19859736 0.80 ADORA2A (0.57) AHCYADORA2API4KAPI4K2BPI4K2A
SCHEMBL25577337 0.77 ADORA2A (0.55) AHCYADORA2API4KAPI4K2BPI4K2A
SCHEMBL23171267 0.76 ADORA2A (0.60) AHCYADORA2API4KAPI4K2BPI4K2A
SCHEMBL16368295 0.76 ADORA2A (0.60) AHCYADORA2API4KAPI4K2BPI4K2A
SCHEMBL19859805 0.74 ADORA2A (0.62) AHCYADORA2API4KAPI4K2BPI4K2A
SCHEMBL16640169 0.73 AHCY (0.43) AHCYADORA2API4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — 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-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B AHCY 525/4885ADORA2A 71/4885ALDH1A1 2125/4885

“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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