SCHEMBL5582393

SCHEMBL5582393

Nc1ncnc2c1ncn2[C@H]1C[C@H](O)CO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 9/20 0.60
PI4KA P42356 2/20 0.60
PI4K2B Q8TCG2 2/20 0.60
PI4K2A Q9BTU6 2/20 0.60
PI4KB Q9UBF8 2/20 0.60
TP53 P04637 1/20 0.60
CYP2C9 P11712 1/20 0.60
NFKB1 P19838 1/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
APEX1 P27695 1/20 0.60
BLM P54132 1/20 0.60
KMT2A Q03164 1/20 0.60
ADCY1 Q08828 1/20 0.60
ADORA2A P29274 3/20 0.55
ADA P00813 1/20 0.54
STING1 Q86WV6 1/20 0.54
ADORA3 P0DMS8 2/20 0.52

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
SCHEMBL5582394 1.00 AHCY (0.60) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL22992329 1.00 AHCY (0.60) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL31309583 1.00 AHCY (0.60) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL22762138 1.00 AHCY (0.60) AHCYPI4KAPI4K2BPI4K2API4KB
Magnesium SCHEMBL31309216 0.99 AHCY (0.59) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL31309711 0.99 AHCY (0.59) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL31309571 0.99 AHCY (0.59) AHCYPI4KAPI4K2BPI4K2API4KB
Calcium SCHEMBL31309558 0.99 AHCY (0.59) AHCYPI4KAPI4K2BPI4K2API4KB
Ammonia Solution, Strong SCHEMBL31309620 0.99 AHCY (0.59) AHCYPI4KAPI4K2BPI4K2API4KB
Potassium SCHEMBL31309656 0.99 AHCY (0.59) AHCYPI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522932-B2 Phosphonate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2016-12-20 US disclosed
US-9249177-B2 Phosphonate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2016-02-02 US disclosed
US-20160009750-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2016-01-14 US disclosed
EP-1720890-B1 PHOSPONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION LEUVEN K U RES & DEV (BE) 2015-05-20 EP disclosed
US-20140316127-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2014-10-23 US disclosed
US-8809520-B2 Phosphonate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2014-08-19 US disclosed
US-20140039179-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2014-02-06 US disclosed
US-8501709-B2 Phosphonate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2013-08-06 US disclosed
US-20120108531-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2012-05-03 US disclosed
US-8076310-B2 Phosphonate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-12-13 US disclosed
US-20070185062-A1 Phosponate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2007-08-09 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 (5 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-20140039179-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION PNP, NUDT1, TYMP AHCY 1632/4885PI4KA 309/4885PI4K2B 298/4885
US-20120108531-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION TYMP, PNP, NUDT1 AHCY 945/4885PI4KA 76/4885PI4K2B 119/4885
US-20070185062-A1 Phosponate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production ENTPD5, PPA1, TYMP AHCY 2136/4885PI4KA 72/4885PI4K2B 118/4885
US-20160009750-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION PNP, NUDT1, TYMP AHCY 1632/4885PI4KA 309/4885PI4K2B 298/4885
US-20140316127-A1 PHOSPHONATE NUCLEOSIDES USEFUL AS ACTIVE INGREDIENTS IN PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS, AND INTERMEDIATES FOR THEIR PRODUCTION PNP, NUDT1, TYMP AHCY 1632/4885PI4KA 309/4885PI4K2B 298/4885

“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.