SCHEMBL784432

SCHEMBL784432

Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)N(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 9/20 0.75
GSK3A P49840 2/20 0.69
RPS6KA3 P51812 2/20 0.69
MAPK14 Q16539 2/20 0.69
PNP P00491 1/20 0.64
NT5E P21589 1/20 0.61
TGM2 P21980 1/20 0.57
KRAS P01116 5/20 0.55
TAAR1 Q96RJ0 1/20 0.55

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
SCHEMBL5219707 0.87 GSK3A (0.80) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL5999289 0.86 HINT1 (0.55) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL439016 0.85 HINT1 (0.78) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL9545419 0.85 POLB (0.60) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL7915394 0.85 HINT1 (0.71) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL217117 0.84 HINT1 (0.80) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL9295421 0.83 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL9295418 0.83 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL29060313 0.83 HINT1 (0.69) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL1533274 0.82 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653254-B2 Process for producing nucleoside TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-18 US disclosed
US-20120071646-A1 PROCESS FOR PRODUCING NUCLEOSIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 EP 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-20120071646-A1 PROCESS FOR PRODUCING NUCLEOSIDE NUDT1, PNP, HPRT1 HINT1 42/4885GSK3A 3961/4885RPS6KA3 3959/4885

“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.