SCHEMBL5075569

SCHEMBL5075569

Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COC(=O)COc3ccccc3)O2)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
P2RY2 P41231 1/20 0.55
P2RY4 P51582 1/20 0.55
P2RY6 Q15077 1/20 0.55
TYMP P19971 1/20 0.53
HINT1 P49773 3/20 0.53
GSK3A P49840 2/20 0.50
RPS6KA3 P51812 2/20 0.50
MAPK14 Q16539 2/20 0.50
PNP P00491 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
F2 P00734 2/20 0.46
TAAR1 Q96RJ0 1/20 0.44
KRAS P01116 1/20 0.44
NT5E P21589 1/20 0.43
POLA1 P09884 1/20 0.43

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
SCHEMBL3425765 0.91 POLB (0.66) POLBP2RY2P2RY4P2RY6TYMP
SCHEMBL8506523 0.89 POLB (0.61) POLBP2RY2P2RY4P2RY6TYMP
SCHEMBL5360855 0.87 POLB (0.62) POLBP2RY2P2RY4P2RY6TYMP
SCHEMBL9545419 0.85 POLB (0.60) POLBP2RY2P2RY4P2RY6TYMP
SCHEMBL7915394 0.85 HINT1 (0.71) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL5347882 0.85 POLB (0.63) POLBP2RY2P2RY4P2RY6TYMP
SCHEMBL8622463 0.84 POLB (0.67) POLBP2RY2P2RY4P2RY6TYMP
SCHEMBL8622459 0.84 POLB (0.67) POLBP2RY2P2RY4P2RY6TYMP
SCHEMBL9017499 0.84 POLB (0.55) POLBP2RY2P2RY4P2RY6TYMP
SCHEMBL15012843 0.83 POLB (0.70) POLBP2RY2P2RY4P2RY6TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200215092-A1 Oligonucleotide Analogues Incorporating 5-Aza-Cytosine Therein ASTEX PHARMACEUTICALS, INC. 2020-07-09 US disclosed
EP-1943264-A2 OLIGONUCLEOTIDE ANALOGUES INCORPORATING 5-AZA-CYTOSINE THEREIN SuperGen, Inc. (US) 2008-07-16 EP disclosed
WO-2007041071-A2 OLIGONUCLEOTIDE ANALOGUES INCORPORATING 5-AZA-CYTOSINE THEREIN SUPERGEN, INC. (US) 2007-04-12 WO disclosed
EP-0902788-A1 NUCLEOSIDE DERIVATIVES, AND THEIR USE IN OLIGONUCLEOTIDE SYNTHESIS CIS BIO INTERNATIONAL (FR) 1999-03-24 EP disclosed
WO-1997042207-A1 NUCLEOSIDE DERIVATIVES, AND THEIR USE IN OLIGONUCLEOTIDE SYNTHESIS CIS BIO INTERNATIONAL (FR) 1997-11-13 WO 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-20200215092-A1 Oligonucleotide Analogues Incorporating 5-Aza-Cytosine Therein DCTD, DNMT3B, NT5C3B POLB 52/4885P2RY2 1688/4885P2RY4 925/4885

“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.