SCHEMBL4759360

SCHEMBL4759360

CC[Si](CC)(CC)OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.57
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA9 Q16790 1/20 0.52
PDE2A O00408 5/20 0.50
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
ADRA1A P35348 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE3A Q14432 1/20 0.50
ADORA2B P29275 1/20 0.50
NT5E P21589 6/20 0.48
CD99 P14209 1/20 0.47
P2RY1 P47900 2/20 0.47
P2RY11 Q96G91 2/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL4758245 0.85 ADORA3 (0.54) ADORA3CA1CA2CA4CA9
SCHEMBL4758281 0.84 ADORA3 (0.56) ADORA3CA1CA2CA4CA9
SCHEMBL4758255 0.83 ADORA3 (0.56) ADORA3CA1CA2CA4CA9
SCHEMBL4757814 0.83 ADORA3 (0.56) ADORA3CA1CA2CA4CA9
SCHEMBL6874040 0.81 HINT1 (0.54) PDE3ANT5E
SCHEMBL6875278 0.79 HINT1 (0.39) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL14252588 0.79 ADORA3 (0.74) ADORA3CA1CA2CA4CA9
SCHEMBL14252597 0.77 ADORA3 (0.50) ADORA3CA1CA2CA4CA9
SCHEMBL19470036 0.76 DNMT1 (0.48) ADORA3P2RY11ALDH1A1LMNATP53
SCHEMBL3437027 0.75 ADORA3 (0.72) ADORA3CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342003-B2 Synthesis of 2-aralkyloxyadenosines, 2-alkoxyadenosines, and their analogs KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-03-11 US disclosed
US-7342003-B2 Synthesis of 2-aralkyloxyadenosines, 2-alkoxyadenosines, and their analogs KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-03-11 US disclosed
US-20060135466-A1 Synthesis of 2-aralkyloxyadenosines, 2-alkoxyadenosines, and their analogs KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. 2006-06-22 US disclosed
WO-2005033121-A2 SYNTHESIS OF 2-ARALKYLOXYADENOSINES, 2-ALKOXYADENOSINES, AND THEIR ANALOGS KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2005-04-14 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-20060135466-A1 Synthesis of 2-aralkyloxyadenosines, 2-alkoxyadenosines, and their analogs ADA, ADAR, DCTD ADORA3 44/4885CA1 3973/4885CA2 3720/4885

“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.