SCHEMBL4804353

SCHEMBL4804353

OC[C@H]1O[C@@H](n2cnc3c(Nc4ccccn4)nc(-c4nnn[nH]4)nc32)[C@@H](O)[C@H]1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.60
ADORA1 P30542 5/20 0.60
ADORA2A P29274 3/20 0.60
CYP1A2 P05177 3/20 0.50
LMNA P02545 2/20 0.50
CYP2C19 P33261 2/20 0.50
THPO P40225 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.50
NPY1R P25929 1/20 0.50
HTT P42858 1/20 0.50
NPY2R P49146 1/20 0.50
RAB9A P51151 1/20 0.50
SLC29A1 Q99808 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL4806841 0.90 CYP1A2 (0.63) ADORA3ADORA1ADORA2ACYP1A2LMNA
SCHEMBL4798374 0.85 ADORA3 (0.65) ADORA3ADORA1ADORA2ACYP1A2CYP2C19
SCHEMBL4801695 0.85 ADORA3 (0.64) ADORA3ADORA1ADORA2ASLC29A1PGK1
SCHEMBL4805449 0.85 LMNA (0.49) ADORA3ADORA1ADORA2ACYP1A2LMNA
SCHEMBL4798221 0.84 ADORA3 (0.58) ADORA3ADORA1ADORA2ASLC29A1PGK1
SCHEMBL4804672 0.83 ADORA3 (0.62) ADORA3ADORA1ADORA2ACYP1A2PMP22
SCHEMBL4798200 0.83 PAX8 (0.56) ADORA3ADORA1ADORA2APMP22TSHR
SCHEMBL4808332 0.82 ADORA3 (0.59) ADORA3ADORA1ADORA2ASLC29A1PGK1
SCHEMBL5129355 0.82 ADORA3 (0.68) ADORA3ADORA1ADORA2ACYP1A2PMP22
SCHEMBL4807108 0.82 ADORA3 (0.68) ADORA3ADORA1ADORA2ACYP1A2PMP22

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-7381714-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1883646-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-02-06 EP disclosed
US-20060276428-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-07 US disclosed
WO-2006125190-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 (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-20060276428-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA1 1/4885ADORA2A 2/4885

“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.