SCHEMBL3022156

SCHEMBL3022156

OCc1cnn([C@@H]2C=C[C@H](n3cnc4c(N[C@H]5CCC[C@@H]5O)nc(Cl)nc43)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.55
ADORA1 P30542 11/20 0.43
ADORA3 P0DMS8 10/20 0.43
SLC6A2 P23975 1/20 0.42
HTR2B P41595 1/20 0.42
ADORA2B P29275 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3027373 0.87 ADORA2A (0.57) ADORA2AADORA1ADORA3SLC6A2HTR2B
SCHEMBL3808904 0.81 LMNA (0.43) ADORA2AADORA1ADORA3HTR2B
SCHEMBL2808436 0.81 LMNA (0.43) ADORA2AADORA1ADORA3HTR2B
SCHEMBL2806725 0.78 ADORA3 (0.49) ADORA2AADORA1ADORA3HTR2B
SCHEMBL3024769 0.75 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5391713 0.74 ADORA2A (0.74) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL5390598 0.74 ADORA2A (0.74) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL3710259 0.73 ADORA1 (0.55) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3022704 0.73 ADORA1 (0.55) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL9791823 0.71 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BMEN1

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-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands NOVARTIS AG (CH) 2010-08-05 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-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA3 3/4885

“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.