SCHEMBL3948665

SCHEMBL3948665

Cc1ccc(-c2c[nH]nc2-c2nc(NC3CCOC3)c3ncn([C@@H]4O[C@H](CO)[C@H]5OC(C)(C)O[C@H]54)c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.49
ADORA3 P0DMS8 7/20 0.49
ADORA2B P29275 7/20 0.49
ADORA2A P29274 6/20 0.49
SLC28A1 O00337 1/20 0.44
SLC29A1 Q99808 1/20 0.44
NT5E P21589 2/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3955145 0.90 ADORA1 (0.42) ADORA1ADORA3ADORA2BADORA2ANT5E
SCHEMBL3949601 0.89 ADORA1 (0.62) ADORA1ADORA3ADORA2BADORA2ASLC28A1
SCHEMBL5132305 0.89 ADORA1 (0.62) ADORA1ADORA3ADORA2BADORA2ASLC28A1
SCHEMBL5034539 0.89 ADORA1 (0.62) ADORA1ADORA3ADORA2BADORA2ASLC28A1
SCHEMBL3947025 0.89 ADORA1 (0.62) ADORA1ADORA3ADORA2BADORA2ASLC28A1
SCHEMBL3944351 0.87 ADORA1 (0.41) ADORA1ADORA3ADORA2BADORA2ASLC28A1
SCHEMBL4804785 0.86 ADORA1 (0.49) ADORA1ADORA3ADORA2BADORA2ASLC28A1
SCHEMBL3955602 0.81 ADORA1 (0.63) ADORA1ADORA3ADORA2BADORA2ASLC28A1
SCHEMBL13800720 0.81 ADORA3 (0.55) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL7172152 0.81 ADORA1 (0.74) ADORA1ADORA3ADORA2BADORA2ANT5E

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 3 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-20060281705-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-14 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-20090156544-A1 A1 ADENOSINE RECEPTOR AGONISTS ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA3 3/4885ADORA2B 4/4885
US-20060281705-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA3 3/4885ADORA2B 4/4885

“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.