SCHEMBL13695331

SCHEMBL13695331

C[C@@]1(O)[C@H](O)C(CO)O[C@H]1c1ccc2c(N)ncnn12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.46
ADA P00813 1/20 0.37
POLRMT O00411 1/20 0.36
PRMT5 O14744 4/20 0.34
WDR77 Q9BQA1 4/20 0.34
ADORA3 P0DMS8 2/20 0.33
DOT1L Q8TEK3 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
TMPRSS2 O15393 1/20 0.33
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
TNK2 Q07912 1/20 0.32

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
SCHEMBL19644967 1.00 ADORA2A (0.46) ADORA2AADAPOLRMTPRMT5WDR77
SCHEMBL646134 1.00 ADORA2A (0.46) ADORA2AADAPOLRMTPRMT5WDR77
SCHEMBL17117149 1.00 ADORA2A (0.46) ADORA2AADAPOLRMTPRMT5WDR77
SCHEMBL17109576 1.00 ADORA2A (0.46) ADORA2AADAPOLRMTPRMT5WDR77
SCHEMBL2722884 1.00 ADORA2A (0.46) ADORA2AADAPOLRMTPRMT5WDR77
SCHEMBL13519758 1.00 ADORA2A (0.46) ADORA2AADAPOLRMTPRMT5WDR77
SCHEMBL31228150 0.90 ADORA2A (0.36) ADORA2APOLRMTPRMT5WDR77DOT1L
SCHEMBL15682916 0.89 ADORA2A (0.39) ADORA2APOLRMTADORA3DOT1LPI4KA
SCHEMBL17615387 0.87 ADORA2A (0.38) ADORA2APOLRMTADORA3DOT1LPI4KA
SCHEMBL18697877 0.87 ADORA2A (0.38) ADORA2APOLRMTADORA3DOT1LPI4KA

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-20090227524-A1 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2009-09-10 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-20090227524-A1 ANTIVIRAL THERAPEUTIC AGENTS EIF2AK2, ZC3HAV1, MAVS ADORA2A 3132/4885ADA 391/4885POLRMT 32/4885

“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.