SCHEMBL4758240

SCHEMBL4758240

CC[Si](CC)(CC)O[C@@H]1[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1cnc2c(N)nc(Cl)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 8/20 0.42
▸ NT5E P21589 7/20 0.40
▸ PDE4D Q08499 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ PNP P00491 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ADORA2A P29274 3/20 0.38
▸ ADORA1 P30542 3/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ADORA2B P29275 2/20 0.38
▸ IARS1 P41252 1/20 0.37

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
SCHEMBL4759035 0.89 ADORA3 (0.41) ADORA3NT5EPDE4DPDE3APNP
SCHEMBL4759053 0.86 ADORA2A (0.49) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20305241 0.85 ADORA3 (0.46) ADORA3NT5EPDE4DPDE3APNP
SCHEMBL19961896 0.84 ADORA3 (0.54) ADORA3NT5EPDE4DPDE3APNP
SCHEMBL4757808 0.84 ADORA3 (0.54) ADORA3NT5EPDE4DPDE3APNP
SCHEMBL22216550 0.84 ADORA3 (0.54) ADORA3NT5EPDE4DPDE3APNP
SCHEMBL19948302 0.83 ADORA3 (0.39) ADORA3NT5EPDE4DPDE3AADORA2A
SCHEMBL19948303 0.83 ADORA3 (0.39) ADORA3NT5EPDE4DPDE3AADORA2A
SCHEMBL20337513 0.83 ADORA3 (0.39) ADORA3NT5EPDE4DPDE3AADORA2A
SCHEMBL5963251 0.81 STING1 (0.38) ADORA3NT5EADORA2AADORA2B

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 3 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

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 44/4885NT5E 157/4885PDE4D 1250/4885

“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.

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