SCHEMBL7066994

SCHEMBL7066994

Nc1ncnc2c1ncn2[C@@]1(F)CO[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.48
TYMP P19971 10/20 0.45
NT5E P21589 1/20 0.42
GMPS P49915 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
SLC28A1 O00337 1/20 0.39
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
AHCY P23526 2/20 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
SCHEMBL7072210 0.85 ADORA1 (0.42) ADORA1TYMPNT5EGMPSADORA3
SCHEMBL24836165 0.81 TYMP (0.44) TYMPNT5EADORA3
SCHEMBL29812366 0.76 ADORA1 (0.44) ADORA1TYMPNT5EADORA3ADORA2A
SCHEMBL7065752 0.74 TYMP (0.71) ADORA1TYMPNT5EADORA3ADORA2A
SCHEMBL7065756 0.74 TYMP (0.71) ADORA1TYMPNT5EADORA3ADORA2A
SCHEMBL8610903 0.74 ADORA1 (0.82) ADORA1TYMPADORA3ADORA2ASLC28A1
SCHEMBL8610899 0.74 ADORA1 (0.82) ADORA1TYMPADORA3ADORA2ASLC28A1
SCHEMBL31484253 0.74 ADORA1 (0.82) ADORA1TYMPADORA3ADORA2ASLC28A1
SCHEMBL6271785 0.73 NT5E (0.73) ADORA1TYMPNT5E
SCHEMBL3318862 0.73 NT5E (0.73) ADORA1TYMPNT5E

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-20030204079-A1 Process for producing 2', 3'-diethy substituted nucleoside derivatives AJINOMOTO CO., INC (JP) 2003-10-30 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-20030204079-A1 Process for producing 2', 3'-diethy substituted nucleoside derivatives RNGTT, DOHH, NT5C3B ADORA1 2863/4885TYMP 38/4885NT5E 184/4885

“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.