SCHEMBL10101554

SCHEMBL10101554

C[C@H]1[C@H](O)[C@H](c2ccc3c(N)nc(N)nn23)O[C@@H]1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MTOR P42345 2/20 0.36
▸ GMNN O75496 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ DNMT1 P26358 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ ADORA2A P29274 6/20 0.35
▸ ADORA2B P29275 5/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ THRB P10828 1/20 0.33

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
SCHEMBL10101555 0.87 — —
SCHEMBL10101479 0.87 — —
SCHEMBL10101548 0.81 POLRMT (0.40) ADORA2AADORA2BADORA3ADORA1HIF1A
SCHEMBL10101485 0.77 HIF1A (0.30) HIF1A
SCHEMBL14642541 0.77 — —
SCHEMBL646125 0.77 ADORA2A (0.39) LMNAMTORGMNNALDH1A1TP53
SCHEMBL19632930 0.75 PDE4D (0.32) LMNAMTORGMNNALDH1A1TP53
SCHEMBL19632726 0.75 PDE4D (0.32) CYP2C19LMNAMTORGMNNALDH1A1
SCHEMBL14642598 0.75 ADRB1 (0.31) DNMT1
SCHEMBL19636526 0.75 PDE4D (0.32) CYP2C19LMNAMTORGMNNALDH1A1

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-8119607-B2 Bicyclic nucleosides and nucleotides as therapeutic agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-02-21 — — US disclosed
US-20100035836-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT (AU) 2010-02-11 — — 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-20100035836-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD CYP2C19 3837/4885LMNA 1767/4885MTOR 1733/4885

“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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