SCHEMBL1096598

SCHEMBL1096598

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c(Br)nc3c(N)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NADK O95544 2/20 0.50
ADORA2A P29274 5/20 0.42
ADORA1 P30542 5/20 0.42
ADORA3 P0DMS8 4/20 0.42
ADORA2B P29275 4/20 0.42
HSPA5 P11021 2/20 0.39
HSPA8 P11142 2/20 0.39
AMD1 P17707 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL1106678 1.00 NADK (0.50) NADKADORA2AADORA1ADORA3ADORA2B
SCHEMBL1135253 0.90 AMD1 (0.49) HSPA5HSPA8AMD1RXFP1
SCHEMBL1096911 0.90 AMD1 (0.49) HSPA5HSPA8AMD1RXFP1
SCHEMBL7257500 0.86 ALDH1A1 (0.53) NADKADORA2AADORA1ADORA3ADORA2B
SCHEMBL1098546 0.84 GAPDH (0.55) NADKADORA2AADORA1ADORA3ADORA2B
SCHEMBL1097695 0.84 GAPDH (0.46) NADKHSPA5HSPA8AMD1RXFP1
SCHEMBL1096954 0.82 ADORA3 (0.48) NADKADORA2AADORA1ADORA3ADORA2B
SCHEMBL1096847 0.82 TRPM2 (0.52) NADKHSPA5HSPA8AMD1RXFP1
SCHEMBL13986314 0.82 NADK (0.44) NADKADORA2AADORA1ADORA3ADORA2B
SCHEMBL6762689 0.81 ADORA1 (0.50) NADKADORA2AADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765844-B1 PURINE NUCLEOTIDE DERIVATIVES SOLVELL AS (NO) 2014-07-30 EP disclosed
US-8153609-B2 Purine nucleotide derivatives LAURAS AS (NO) 2012-04-10 US disclosed
EP-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 EP disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-20080293665-A1 Purine Nucleotide Derivatives LAURAS AS (NO) 2008-11-27 US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 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 (3 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 NADK 88/4885ADORA2A 98/4885ADORA1 77/4885
US-20080293665-A1 Purine Nucleotide Derivatives CGAS, PDE8A, PDE7A NADK 301/4885ADORA2A 15/4885ADORA1 46/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP NADK 103/4885ADORA2A 162/4885ADORA1 101/4885

“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.