SCHEMBL5164664

SCHEMBL5164664

CCn1cnc2c(N)nc(OCCCc3ccccc3)nc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.61
ADORA1 P30542 7/20 0.61
ADORA2B P29275 7/20 0.61
TMIGD3 P0DMS9 4/20 0.61
ADORA3 P0DMS8 3/20 0.55
CDK1 P06493 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
TLR7 Q9NYK1 4/20 0.50
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL5161691 0.94 ADORA2A (0.63) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL5161193 0.91 ADORA2A (0.67) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL5163121 0.89 ADORA2A (0.60) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL5160348 0.89 ADORA2A (0.59) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL5162385 0.88 ADORA2A (0.58) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL5163883 0.87 ADORA2A (0.52) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL5161136 0.86 ADORA2A (0.59) ADORA2AADORA1ADORA2BTMIGD3CDK1
SCHEMBL5158576 0.85 ADORA2A (0.51) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL5160396 0.85 ADORA2A (0.57) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL5162169 0.85 ADORA2A (0.52) ADORA2AADORA1ADORA2BTMIGD3ADORA3

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 5 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
EP-1456209-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-09-15 EP disclosed
US-20030149060-A1 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. 2003-08-07 US disclosed
WO-2003051882-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-06-26 WO 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 1/4885ADORA1 4/4885ADORA2B 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.