SCHEMBL5164645

SCHEMBL5164645

C=CCn1cnc2c(N)nc(OCCc3ccccc3)nc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.52
ADORA2B P29275 9/20 0.52
ADORA1 P30542 9/20 0.52
ADORA3 P0DMS8 6/20 0.52
TMIGD3 P0DMS9 3/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL5161408 0.94 ADORA2A (0.52) ADORA2AADORA2BADORA1ADORA3TMIGD3
SCHEMBL5161857 0.86 ADORA2A (0.61) ADORA2AADORA2BADORA1ADORA3TMIGD3
SCHEMBL5161691 0.85 ADORA2A (0.63) ADORA2AADORA2BADORA1ADORA3TMIGD3
SCHEMBL5162224 0.83 ADORA2A (0.64) ADORA2AADORA2BADORA1ADORA3TMIGD3
SCHEMBL5163545 0.82 ADORA2A (0.52) ADORA2AADORA2BADORA1ADORA3TMIGD3
SCHEMBL5163585 0.82 ADORA2A (0.52) ADORA2AADORA2BADORA1ADORA3TMIGD3
SCHEMBL5160311 0.81 ADORA2A (0.51) ADORA2AADORA2BADORA1ADORA3TMIGD3
SCHEMBL5163121 0.80 ADORA2A (0.60) ADORA2AADORA2BADORA1ADORA3TMIGD3
SCHEMBL5158765 0.80 ADORA2A (0.52) ADORA2AADORA2BADORA1ADORA3TMIGD3
SCHEMBL5162367 0.80 ADORA2A (0.56) ADORA2AADORA2BADORA1ADORA3TMIGD3

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-7189730-B2 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-03-13 US disclosed
EP-1456209-B1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2007-02-28 EP 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 1/4885ADORA2B 2/4885ADORA1 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.