SCHEMBL3366600

SCHEMBL3366600

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 16/20 0.79
HIF1A Q16665 1/20 0.70
TMEM97 Q5BJF2 1/20 0.70
SIGMAR1 Q99720 1/20 0.70
ADORA2A P29274 2/20 0.67
ADORA2B P29275 2/20 0.67
DPP4 P27487 1/20 0.67
MEN1 O00255 1/20 0.67
SLC28A1 O00337 1/20 0.67
MAP3K7 O43318 1/20 0.67
SLC28A2 O43868 1/20 0.67
GAPDH P04406 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
MAPK1 P28482 1/20 0.67
ADORA1 P30542 1/20 0.67
STAT6 P42226 1/20 0.67
PI4KA P42356 1/20 0.67
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
PI4K2B Q8TCG2 1/20 0.67

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
SCHEMBL536023 0.90 AHCY (0.79) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4150492 0.88 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4150498 0.88 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL14304652 0.88 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL9282755 0.88 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4776904 0.88 AHCY (1.00) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL3365586 0.87 AHCY (0.60) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4868251 0.84 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4867325 0.84 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A
SCHEMBL4867300 0.84 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200323895-A1 Compounds, Compositions, and Methods for Treating And/Or Preventing Periodontal Disease YALE UNIVERSITY 2020-10-15 US claimed
WO-2010056795-A1 NOVEL SYNTHETIC DINUCLEOSIDE POLYPHOSPHATE ANALOGS AND THEIR USE AS NEW THERAPEUTIC AND/OR DIAGNOSTIC MODALITIES ZATA PHARMACEUTICALS, INC. (US) 2010-05-20 WO claimed
US-6713623-B2 USEFUL AS INTERMEDIATES IN THE SYNTHESIS OF BIOLOGICALLY ACTIVE COMPOUNDS PHARMASSET, LTD. 2004-03-30 US claimed
EP-3716985-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING AND/OR PREVENTING PERIODONTAL DISEASE The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2020-10-07 EP disclosed
WO-2019104316-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING AND/OR PREVENTING PERIODONTAL DISEASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-05-31 WO disclosed
WO-2010056795-A1 NOVEL SYNTHETIC DINUCLEOSIDE POLYPHOSPHATE ANALOGS AND THEIR USE AS NEW THERAPEUTIC AND/OR DIAGNOSTIC MODALITIES ZATA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
EP-0934325-A4 TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES PHARMASSET LTD (US) 2000-08-16 EP disclosed
EP-0934325-A1 TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES Pharmasset, Ltd. (US) 1999-08-11 EP disclosed
WO-1998015563-A1 TETRAPHOSPHONATE BICYCLIC TRISANHYDRIDES PHARMASSET, LTD. (US) 1998-04-16 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-20200323895-A1 Compounds, Compositions, and Methods for Treating And/Or Preventing Periodontal Disease ENPP1, ENPP3, PPA1 AHCY 80/4885HIF1A 2121/4885TMEM97 4869/4885

“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.