SCHEMBL10101598

SCHEMBL10101598

C[C@H]1[C@H](O)[C@H](c2cc(-c3cnc[nH]3)c3c(N)ncnn23)O[C@@H]1CO

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.44
▸ ACVRL1 P37023 13/20 0.39
▸ MTOR P42345 1/20 0.34
▸ RICTOR Q6R327 1/20 0.34
▸ RPTOR Q8N122 1/20 0.34
▸ MAPKAP1 Q9BPZ7 1/20 0.34
▸ MLST8 Q9BVC4 1/20 0.34
▸ RET P07949 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PIK3CD O00329 1/20 0.32

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
SCHEMBL14642636 0.81 ACVRL1 (0.42) ADKACVRL1MTORRICTORRPTOR
SCHEMBL10101592 0.80 DOT1L (0.44) ACVRL1PIK3CD
SCHEMBL10101562 0.80 ACVRL1 (0.40) ACVRL1
SCHEMBL10101558 0.80 ADK (0.35) ADKACVRL1PIK3CD
SCHEMBL10101568 0.80 PIK3CD (0.36) ACVRL1PIK3CD
SCHEMBL10101597 0.80 ADK (0.45) ADKACVRL1PIK3CD
SCHEMBL10101583 0.78 NPC1 (0.40) ACVRL1
SCHEMBL10101588 0.78 HIF1A (0.35) ADKACVRL1
SCHEMBL10101578 0.78 KDM4E (0.36) ADKACVRL1PIK3CD
SCHEMBL10101611 0.78 DOT1L (0.40) ADKACVRL1PIK3CD

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 ADK 72/4885ACVRL1 4215/4885MTOR 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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