SCHEMBL18680909

SCHEMBL18680909

C[C@H](O)[C@@](C)(OC(CO)CO)n1cnc2c(N)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 5/20 0.53
PI4K2B Q8TCG2 5/20 0.53
PI4K2A Q9BTU6 5/20 0.53
PI4KB Q9UBF8 5/20 0.53
ADORA2A P29274 6/20 0.48
ADORA1 P30542 5/20 0.48
AHCY P23526 6/20 0.47
ADORA2B P29275 2/20 0.44
ADA P00813 1/20 0.41

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
SCHEMBL5080093 0.74 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL20052484 0.73 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL11476962 0.72 PI4KA (0.75) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL5083002 0.71 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL5021593 0.71 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL17641488 0.71 ADORA2A (0.56) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL20253540 0.69 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL22666249 0.69 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL30969137 0.69 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL20049726 0.69 PI4KA (0.75) PI4KAPI4K2BPI4K2API4KBADORA2A

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-20170088577-A1 MODIFIED 2' AND 3'-NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-03-30 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-20170088577-A1 MODIFIED 2' AND 3'-NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS PNP, UGT1A3, UGT2B7 PI4KA 879/4885PI4K2B 759/4885PI4K2A 706/4885

“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.