SCHEMBL6396808

SCHEMBL6396808

CC(C)[Si](OCOC1C(O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21)(C(C)C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 6/20 0.52
▸ ADORA3 P0DMS8 4/20 0.52
▸ ADORA2A P29274 4/20 0.52
▸ ADORA2B P29275 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ NFKB1 P19838 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ PMP22 Q01453 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ GLA P06280 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NPY1R P25929 1/20 0.51

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
SCHEMBL6396450 1.00 ADORA1 (0.52) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL6899424 0.88 ADORA1 (0.56) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL6899430 0.88 ADORA1 (0.56) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL7064875 0.87 ADORA1 (0.56) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL19407591 0.87 ADORA1 (0.56) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL7064871 0.87 ADORA1 (0.56) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL38653713 0.87 ADORA1 (0.56) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL6897956 0.87 ADORA1 (0.56) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL6404792 0.86 TYMP (0.53) ADORA1ADORA2AADORA2B
SCHEMBL19841206 0.86 MEN1 (0.63) ADORA1ADORA3ADORA2AADORA2BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives SIRNA THERAPEUTICS, INC. (US) 2005-03-17 — — US disclosed
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives RIBOZYME PHARMACEUTICALS, INC. 2002-10-17 — — 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 (2 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-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B ADORA1 652/4885ADORA3 516/4885ADORA2A 287/4885
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B ADORA1 887/4885ADORA3 645/4885ADORA2A 310/4885

“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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