SCHEMBL3949659

SCHEMBL3949659

NNc1nc(NCc2ccccc2F)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.63
ADORA2B P29275 2/20 0.63
PGK1 P00558 1/20 0.61
PGK2 P07205 1/20 0.61
ADORA3 P0DMS8 2/20 0.60
ADORA1 P30542 2/20 0.60
PAX8 Q06710 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
STAT6 P42226 1/20 0.59
GMNN O75496 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59

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
SCHEMBL5393426 1.00 ADORA2A (0.63) ADORA2AADORA2BPGK1PGK2ADORA3
SCHEMBL4797211 0.90 SLC29A1 (0.70) ADORA2AADORA2BPGK1PGK2ADORA3
SCHEMBL3945901 0.88 ADORA1 (0.68) ADORA2AADORA2BADORA3ADORA1
SCHEMBL743432 0.88 ADORA1 (0.68) ADORA2AADORA2BADORA3ADORA1
SCHEMBL743431 0.88 ADORA1 (0.68) ADORA2AADORA2BADORA3ADORA1
SCHEMBL3949633 0.88 PGK1 (0.73) ADORA2AADORA2BPGK1PGK2ADORA3
SCHEMBL5392874 0.88 PGK1 (0.73) ADORA2AADORA2BPGK1PGK2ADORA3
SCHEMBL17825945 0.85 PAX8 (0.81) ADORA2AADORA3ADORA1PAX8TSHR
SCHEMBL639978 0.85 PAX8 (0.81) ADORA2AADORA3ADORA1PAX8TSHR
SCHEMBL17824443 0.85 PAX8 (0.81) ADORA2AADORA3ADORA1PAX8TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ELZEIN ELFATIH 2009-06-18 US disclosed
US-7514417-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2009-04-07 US disclosed
US-7381714-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1881991-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-01-30 EP disclosed
US-20060281705-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-14 US disclosed
US-20060276428-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-07 US disclosed
WO-2006125211-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-11-23 WO 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-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA2B 4/4885PGK1 1806/4885
US-20060281705-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA2B 4/4885PGK1 1806/4885
US-20060276428-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA2B 4/4885PGK1 1806/4885

“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.