SCHEMBL1591764

SCHEMBL1591764

C[C@@]1(CO)[C@@H](CO)O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA1 P30542 1/20 0.46
SLC29A1 Q99808 5/20 0.44
ADORA2A P29274 1/20 0.43
PGK1 P00558 1/20 0.42
PGK2 P07205 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
SCHEMBL12702704 1.00 NT5E (0.48) NT5ELMNATP53CYP2C19ADORA3
SCHEMBL12702738 0.85 ADORA2A (0.60) NT5ELMNATP53ADORA3ADORA1
SCHEMBL1591903 0.85 ADORA2A (0.60) NT5ELMNATP53ADORA3ADORA1
SCHEMBL12702689 0.85 ADORA2A (0.60) NT5ELMNATP53ADORA3ADORA1
SCHEMBL1591804 0.85 ADORA2A (0.60) NT5ELMNATP53ADORA3ADORA1
SCHEMBL12702703 0.85 ADORA2A (0.60) NT5ELMNATP53ADORA3ADORA1
SCHEMBL12702733 0.85 NT5E (0.48) NT5ELMNATP53CYP2C19ADORA3
SCHEMBL12702741 0.85 ADORA2A (0.60) NT5ELMNATP53ADORA3ADORA1
SCHEMBL25354403 0.78 PI4KA (0.66) NT5ELMNATP53CYP2C19ADORA3
SCHEMBL7100664 0.77 LMNA (0.78) NT5ELMNATP53CYP2C19ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846636-B2 Nucleoside analogues with quaternary carbon stereogenic centers and methods of use LCB PHARMA INC. (CA) 2014-09-30 US disclosed
US-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2011-04-21 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-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE NUDT1, NT5C3B, NTPCR NT5E 10/4885LMNA 1770/4885TP53 223/4885

“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.