SCHEMBL5356311

SCHEMBL5356311

Nc1nc(NCCc2ccccc2)nc2c1ncn2CC1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.69
ADORA2A P29274 8/20 0.69
ADORA2B P29275 6/20 0.69
TMIGD3 P0DMS9 5/20 0.69
ADORA3 P0DMS8 2/20 0.47
CFTR P13569 1/20 0.46
APP P05067 1/20 0.45

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
SCHEMBL5160333 0.94 ADORA2A (0.67) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5161127 0.82 ADORA2A (0.85) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL7209277 0.82 ADORA2A (0.80) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5161160 0.82 ADORA1 (1.00) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5160841 0.81 ADORA1 (0.74) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5163571 0.81 ADORA1 (0.67) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5160311 0.80 ADORA2A (0.51) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL1285904 0.80 ADORA3 (0.51) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5161260 0.80 ADORA1 (0.70) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5162113 0.80 ADORA1 (1.00) ADORA1ADORA2AADORA2BTMIGD3ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189730-B2 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-03-13 US disclosed
US-20030149060-A1 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. 2003-08-07 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-20030149060-A1 A2A adenosine receptor antagonists ADORA2A, ADORA2B, ADORA3 ADORA1 4/4885ADORA2A 1/4885ADORA2B 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.