SCHEMBL784431

SCHEMBL784431

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1C(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.54
ADORA3 P0DMS8 6/20 0.54
ADORA2B P29275 4/20 0.54
ADORA1 P30542 4/20 0.54
CYP1A2 P05177 2/20 0.54
THPO P40225 1/20 0.54
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
BLM P54132 1/20 0.54
SLC29A1 Q99808 1/20 0.53

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
SCHEMBL5347463 0.87 CYP1A2 (0.66) ADORA2AADORA3ADORA2BADORA1CYP1A2
SCHEMBL3967723 0.85 ADORA3 (0.59) ADORA2AADORA3ADORA2BADORA1SLC29A1
SCHEMBL217116 0.85 CYP2C19 (0.60) ADORA2AADORA3ADORA2BADORA1CYP2C19
SCHEMBL9545416 0.84 CYP1A2 (0.55) ADORA3ADORA1CYP1A2
SCHEMBL5999287 0.84 CYP1A2 (0.55) ADORA2AADORA3ADORA2BADORA1CYP1A2
SCHEMBL7915387 0.84 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1CYP1A2
SCHEMBL1611240 0.83 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1CYP2C19
SCHEMBL4813930 0.83 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1CYP2C19
SCHEMBL2208478 0.82 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1
SCHEMBL27690308 0.82 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1

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 ADORA2A 112/4885ADORA3 132/4885ADORA2B 74/4885

“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.