SCHEMBL7600101

SCHEMBL7600101

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1cc(C2=NCCN2)c2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 13/20 0.41
▸ ADORA2A P29274 1/20 0.37
▸ PIK3CD O00329 6/20 0.34

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
SCHEMBL646302 0.82 ADORA2A (0.40) ACVRL1ADORA2APIK3CD
SCHEMBL13519777 0.81 DOT1L (0.41) ACVRL1ADORA2APIK3CD
SCHEMBL644945 0.81 DOT1L (0.41) ACVRL1ADORA2APIK3CD
SCHEMBL7600463 0.81 ACVRL1 (0.39) ACVRL1ADORA2A
SCHEMBL13519782 0.81 ADORA2A (0.44) ACVRL1ADORA2APIK3CD
SCHEMBL645255 0.80 ADK (0.42) ACVRL1ADORA2APIK3CD
SCHEMBL13531953 0.80 ADORA2A (0.43) ACVRL1ADORA2APIK3CD
SCHEMBL13519794 0.80 ACVRL1 (0.38) ACVRL1ADORA2A
SCHEMBL645192 0.80 ACVRL1 (0.38) ACVRL1ADORA2A
SCHEMBL645160 0.79 ADORA2A (0.43) ACVRL1ADORA2A

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 12 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-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-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-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-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-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
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 ACVRL1 4215/4885ADORA2A 69/4885PIK3CD 636/4885
US-20100035836-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD ACVRL1 4215/4885ADORA2A 69/4885PIK3CD 636/4885
US-20130018013-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD ACVRL1 4215/4885ADORA2A 69/4885PIK3CD 636/4885

“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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