SCHEMBL7600076

SCHEMBL7600076

[C-]#[N+]c1cc([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(C)O)n2ncnc(N)c12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.41
▸ ACVRL1 P37023 11/20 0.33
▸ ADA P00813 1/20 0.32
▸ TNK2 Q07912 2/20 0.31
▸ PI4KA P42356 1/20 0.30
▸ PI4K2B Q8TCG2 1/20 0.30
▸ PI4K2A Q9BTU6 1/20 0.30
▸ PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL13531963 0.87 ADORA2A (0.43) ADORA2AACVRL1ADA
SCHEMBL13519782 0.86 ADORA2A (0.44) ADORA2AACVRL1ADATNK2
SCHEMBL10101530 0.86 ACVRL1 (0.33) ADORA2AACVRL1PI4KAPI4K2BPI4K2A
SCHEMBL13531953 0.85 ADORA2A (0.43) ADORA2AACVRL1ADATNK2
SCHEMBL10101523 0.85 ACVRL1 (0.33) ADORA2AACVRL1
SCHEMBL7598953 0.85 ADORA2A (0.43) ADORA2AACVRL1ADATNK2
SCHEMBL13519842 0.85 ADORA2A (0.43) ADORA2AACVRL1ADATNK2
SCHEMBL646044 0.85 ADORA2A (0.43) ADORA2AACVRL1
SCHEMBL645160 0.85 ADORA2A (0.43) ADORA2AACVRL1TNK2
SCHEMBL10101522 0.84 ACVRL1 (0.32) ADORA2AACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501699-B2 Bicyclic nucleosides and nucleotides as therapeutic agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-08-06 — — US disclosed
US-8415309-B2 Bicyclic nucleosides and nucleotides as therapeutic agents BIOTA SCIENTIFIC MANAGMENT PTY LTD (AT) 2013-04-09 — — US disclosed
US-20130018013-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-01-17 — — US disclosed
US-20120122811-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 — — US disclosed
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 (3 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-20120122811-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD ADORA2A 69/4885ACVRL1 4215/4885ADA 34/4885
US-20100035836-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD ADORA2A 69/4885ACVRL1 4215/4885ADA 34/4885
US-20130018013-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD ADORA2A 69/4885ACVRL1 4215/4885ADA 34/4885

“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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