SCHEMBL5746201

SCHEMBL5746201

N#Cc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.52
ADORA1 P30542 2/20 0.52
ALDH1A1 P00352 3/20 0.51
TP53 P04637 3/20 0.51
HTT P42858 2/20 0.51
BLM P54132 2/20 0.51
LMNA P02545 2/20 0.51
GMNN O75496 1/20 0.51
NFKB1 P19838 1/20 0.51
DNMT1 P26358 1/20 0.51
THPO P40225 1/20 0.51
MTOR P42345 1/20 0.51
RAB9A P51151 1/20 0.51
HBB P68871 1/20 0.51
PMP22 Q01453 1/20 0.51
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL9697576 0.91 ADORA3 (0.49) ADORA3ADORA1ALDH1A1TP53HTT
SCHEMBL9698667 0.89 ADORA3 (0.47) ADORA3ADORA1ALDH1A1TP53HTT
SCHEMBL9698515 0.89 ADORA3 (0.50) ADORA3ADORA1ALDH1A1TP53HTT
SCHEMBL9698584 0.88 ADORA3 (0.50) ADORA3ADORA1SMN1; SMN2SLC29A1DPP4
SCHEMBL9698867 0.87 ADORA2A (0.48) ADORA3ADORA1ALDH1A1TP53HTT
SCHEMBL9698568 0.87 ADORA3 (0.48) ADORA3ADORA1ALDH1A1TP53HTT
SCHEMBL10623398 0.86 ALDH1A1 (0.60) ADORA3ADORA1ALDH1A1TP53HTT
SCHEMBL9619994 0.85 TP53 (0.62) ADORA3ADORA1ALDH1A1TP53HTT
SCHEMBL9699120 0.85 ADORA3 (0.51) ADORA3ADORA1ALDH1A1TP53HTT
SCHEMBL9699971 0.85 ADORA3 (0.51) ADORA3ADORA1ALDH1A1TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241065-A1 Ring-expanded nucleosides and nucleotides UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2006-10-26 US disclosed
EP-1227103-B1 Ring-expanded nucleosides and nucleotides NABI (US) 2006-07-26 EP disclosed
US-20040077564-A1 Ring expanded nucleosides and nucleotides UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2004-04-22 US disclosed
US-6677310-B1 ANTICARCINOGENIC AGENTS; BACTERICIDES, FUNGICIDES, PARASITICIDES; VIRICIDES AGAINST HEPATITIS, EPSTEIN-BARR, CYTOMEGALO AND HUMAN IMMUNODEFICIENCY VIRUS NABI 2004-01-13 US disclosed
EP-0724587-B1 RING-EXPANDED NUCLEOSIDES AND NUCLEOTIDES NABI (US) 2002-09-04 EP disclosed
EP-1227103-A2 Ring-expanded nucleosides and nucleotides Nabi (US) 2002-07-31 EP disclosed
US-5843912-A Ring-expanded nucleosides and nucleotides UNIVERSY OF MARYLAND (US) 1998-12-01 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 (2 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-20060241065-A1 Ring-expanded nucleosides and nucleotides PNP, UMPS, ADA ADORA3 36/4885ADORA1 49/4885ALDH1A1 1463/4885
US-20040077564-A1 Ring expanded nucleosides and nucleotides PNP, PAICS, UMPS ADORA3 39/4885ADORA1 63/4885ALDH1A1 1336/4885

“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.