SCHEMBL5367591

SCHEMBL5367591

CCC=CCCCn1cnc2c(N)nc(SCCCc3ccccc3)nc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.50
TMIGD3 P0DMS9 4/20 0.50
ADORA1 P30542 4/20 0.50
ADORA2B P29275 2/20 0.47
ADORA3 P0DMS8 1/20 0.43
CTSL P07711 1/20 0.40
SLC29A1 Q99808 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL5367588 1.00 ADORA2A (0.50) ADORA2ATMIGD3ADORA1ADORA2BADORA3
SCHEMBL5354566 0.96 ADORA2A (0.49) ADORA2ATMIGD3ADORA1ADORA2BADORA3
SCHEMBL5161116 0.96 ADORA2A (0.49) ADORA2ATMIGD3ADORA1ADORA2BADORA3
SCHEMBL1286132 0.87 ADORA2A (0.57) ADORA2ATMIGD3ADORA1ADORA2BADORA3
SCHEMBL1286288 0.87 ADORA2A (0.64) ADORA2ATMIGD3ADORA1ADORA2BADORA3
SCHEMBL5161279 0.86 ADORA2A (0.56) ADORA2ATMIGD3ADORA1ADORA2BADORA3
SCHEMBL5177683 0.86 ADORA2A (0.57) ADORA2ATMIGD3ADORA1ADORA2BADORA3
SCHEMBL5160523 0.83 ADORA2A (0.49) ADORA2ATMIGD3ADORA1ADORA2BADORA3
SCHEMBL1286303 0.83 ADORA2A (0.56) ADORA2ATMIGD3ADORA1ADORA2BADORA3
SCHEMBL5161848 0.83 ADORA2A (0.52) ADORA2ATMIGD3ADORA1ADORA2BADORA3

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 ADORA2A 1/4885TMIGD3 1730/4885ADORA1 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.