SCHEMBL7076252

SCHEMBL7076252

OCC1O[C@@H](n2cnc3c(Nc4cc[nH]c4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.62
ADORA2A P29274 4/20 0.62
ADORA3 P0DMS8 3/20 0.62
ADORA2B P29275 2/20 0.62
MEN1 O00255 1/20 0.62
CYP1A2 P05177 1/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 1/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62
RXFP1 Q9HBX9 1/20 0.61
HTR2C P28335 1/20 0.60

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
SCHEMBL3949755 1.00 ADORA1 (0.62) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL7076255 1.00 ADORA1 (0.62) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL5390238 1.00 ADORA1 (0.62) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL4850933 0.89 ADORA3 (0.68) ADORA1ADORA2AADORA3ADORA2BCYP1A2
SCHEMBL5380373 0.87 ADORA2A (0.65) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL3952297 0.87 ADORA2A (0.65) ADORA1ADORA2AADORA3ADORA2BMEN1
SCHEMBL6259642 0.87 LMNA (0.73) ADORA1ADORA2AADORA3ADORA2BCYP1A2
SCHEMBL4801134 0.87 LMNA (0.73) ADORA1ADORA2AADORA3ADORA2BCYP1A2
SCHEMBL5389974 0.87 LMNA (0.73) ADORA1ADORA2AADORA3ADORA2BCYP1A2
SCHEMBL4805449 0.83 LMNA (0.49) ADORA1ADORA2AADORA3ADORA2BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030078232-A1 Adenosine receptor A3 agonists CV THERAPEUTICS, INC. 2003-04-24 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 (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-20030078232-A1 Adenosine receptor A3 agonists ADORA3, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ADORA3 1/4885

“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.