SCHEMBL7600407

SCHEMBL7600407

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1ccc2c(N)ccnn12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.38
ADA P00813 1/20 0.36
PDE4D Q08499 1/20 0.33
PDE3A Q14432 1/20 0.33
SLC29A1 Q99808 1/20 0.33
ADORA3 P0DMS8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
MTOR P42345 1/20 0.30
MDM2 Q00987 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 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
SCHEMBL17522710 0.88 ADORA2A (0.33) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL17522703 0.84 POLRMT (0.35) PDE4DPDE3ASLC29A1LMNA
SCHEMBL17124589 0.84 PDE4D (0.31) PDE4DPDE3ASLC29A1
SCHEMBL19644967 0.83 ADORA2A (0.46) ADORA2AADAADORA3
SCHEMBL646134 0.83 ADORA2A (0.46) ADORA2AADAADORA3
SCHEMBL17117149 0.83 ADORA2A (0.46) ADORA2AADAADORA3
SCHEMBL13695331 0.83 ADORA2A (0.46) ADORA2AADAADORA3
SCHEMBL17109576 0.83 ADORA2A (0.46) ADORA2AADAADORA3
SCHEMBL2722884 0.83 ADORA2A (0.46) ADORA2AADAADORA3
SCHEMBL13519758 0.83 ADORA2A (0.46) ADORA2AADAADORA3

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 4 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

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-20120122811-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD ADORA2A 69/4885ADA 34/4885PDE4D 358/4885
US-20130018013-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD ADORA2A 69/4885ADA 34/4885PDE4D 358/4885

“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.