SCHEMBL2298662

SCHEMBL2298662

Nc1ncnc2c1ncn2[C@@]1(CO)OC[C@@H](O)[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GMPS P49915 1/20 0.63
ADORA3 P0DMS8 3/20 0.54
ADORA2A P29274 3/20 0.54
SLC28A1 O00337 2/20 0.54
PI4K2A Q9BTU6 3/20 0.48
PI4KA P42356 2/20 0.48
PI4K2B Q8TCG2 2/20 0.48
PI4KB Q9UBF8 2/20 0.48
SLC28A2 O43868 1/20 0.47
AHCY P23526 6/20 0.46
ADA P00813 1/20 0.45
DPP4 P27487 1/20 0.43
ADORA2B P29275 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
SCHEMBL4519528 0.93 GMPS (0.60) GMPSADORA3ADORA2ASLC28A1PI4K2A
SCHEMBL4519522 0.93 GMPS (0.60) GMPSADORA3ADORA2ASLC28A1PI4K2A
SCHEMBL20839261 0.88 GMPS (0.60) GMPSADORA3ADORA2ASLC28A1PI4K2A
SCHEMBL22367660 0.88 GMPS (0.60) GMPSADORA3ADORA2ASLC28A1PI4K2A
SCHEMBL15524961 0.82 AHCY (0.49) GMPSADORA3ADORA2ASLC28A1AHCY
SCHEMBL10751549 0.80 AHCY (0.45) GMPSADORA3ADORA2ASLC28A1AHCY
Decoyinine SCHEMBL22430502 0.77 GMPS (1.00) GMPSADORA3ADORA2ASLC28A1PI4K2A
SCHEMBL21591026 0.77 ADORA2A (0.53) GMPSADORA3ADORA2ASLC28A1PI4K2A
Psicofuranine SCHEMBL9389898 0.77 GMPS (0.61) GMPSADORA3ADORA2ASLC28A1PI4K2A
Psicofuranine SCHEMBL691065 0.77 GMPS (0.61) GMPSADORA3ADORA2ASLC28A1PI4K2A

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
JP-H09510696-A 1997-10-28 JP claimed
EP-0737077-A1 HEPATOCYTE-TARGETED DRUG CONJUGATES TARGETECH, INC. (US) 1996-10-16 EP claimed
WO-1995018636-A2 HEPATOCYTE-TARGETED DRUG CONJUGATES TARGETECH INC (US) 1995-07-13 WO claimed
US-20240100021-A1 Combination Therapy Schedules to Treat Cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-03-28 US disclosed
EP-2563367-A1 METHODS OF TREATING RETROVIRAL INFECTIONS AND RELATED DOSAGE REGIMES Chimerix, Inc. (US) 2013-03-06 EP disclosed
EP-2534150-A2 METHODS OF TREATING VIRAL INFECTION Chimerix, Inc. (US) 2012-12-19 EP disclosed
WO-2011139709-A2 METHODS OF TREATING RETROVIRAL INFECTIONS AND RELATED DOSAGE REGIMES CHIMERIX, INC. (US) 2011-11-10 WO disclosed
WO-2011100698-A2 METHODS OF TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2011-08-18 WO disclosed
EP-0737077-A1 HEPATOCYTE-TARGETED DRUG CONJUGATES TARGETECH, INC. (US) 1996-10-16 EP disclosed
WO-1995018636-A2 HEPATOCYTE-TARGETED DRUG CONJUGATES TARGETECH INC (US) 1995-07-13 WO disclosed
EP-0212956-A1 Guanine derivatives GLAXO GROUP LIMITED (GB) 1987-03-04 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-20240100021-A1 Combination Therapy Schedules to Treat Cancer TYMP, DPYD, TP53 GMPS 1049/4885ADORA3 729/4885ADORA2A 353/4885

“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.