SCHEMBL9945548

SCHEMBL9945548

O=C(Nc1ccn([C@@H]2O[C@H](CO)C(O)[C@H]2CO)c(=O)n1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 4/20 0.61
P2RY14 Q15391 2/20 0.61
NT5E P21589 1/20 0.61
ABL1 P00519 1/20 0.60
RIN1 Q13671 1/20 0.60
POLB P06746 1/20 0.59
LMNA P02545 1/20 0.51
THRB P10828 1/20 0.51
MTOR P42345 1/20 0.51
MDM2 Q00987 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
MAPT P10636 1/20 0.46
CDA P32320 1/20 0.46
P2RY4 P51582 3/20 0.43
P2RY2 P41231 2/20 0.43
ST6GAL1 P15907 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL565904 0.93 P2RY6 (0.70) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL7267465 0.93 P2RY6 (0.70) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL27878674 0.93 P2RY6 (0.70) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL565905 0.93 P2RY6 (0.70) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL14853856 0.93 P2RY6 (0.70) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL16805383 0.93 P2RY6 (0.70) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL18852530 0.93 P2RY6 (0.70) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL7527325 0.92 P2RY6 (0.69) P2RY6P2RY14NT5EABL1RIN1
Phosphoric Acid SCHEMBL21465041 0.90 P2RY6 (0.72) P2RY6P2RY14NT5EABL1RIN1
SCHEMBL432298 0.89 P2RY6 (0.61) P2RY6P2RY14NT5EABL1RIN1

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-20120149888-A1 SYNTHESIS OF ARA-2'-O-METHYL-NUCLEOSIDES, CORRESPONDING PHOSPHORAMIDITES AND OLIGONUCLEOTIDES INCORPORATING NOVEL MODIFICATIONS FOR BIOLOGICAL APPLICATION IN THERAPEUCTICS, DIAGNOSTICS, G- TETRAD FORMING OLIGONUCLEOTIDES AND APTAMERS CHEMGENES CORPORATION 2012-06-14 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-20120149888-A1 SYNTHESIS OF ARA-2'-O-METHYL-NUCLEOSIDES, CORRESPONDING PHOSPHORAMIDITES AND OLIGONUCLEOTIDES INCORPORATING NOVEL MODIFICATIONS FOR BIOLOGICAL APPLICATION IN THERAPEUCTICS, DIAGNOSTICS, G- TETRAD FORMING OLIGONUCLEOTIDES AND APTAMERS TYMP, MTAP, GART P2RY6 1387/4885P2RY14 274/4885NT5E 261/4885

“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.