SCHEMBL5163828

SCHEMBL5163828

Cn1c(Br)nc2c(N)nc(SCCCc3ccccc3)nc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.47
ADORA1 P30542 8/20 0.47
ADORA2B P29275 6/20 0.47
TMIGD3 P0DMS9 3/20 0.47
ABCB1 P08183 3/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM1A O60341 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 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
SCHEMBL5160564 0.94 ABCB1 (0.51) ADORA2AADORA1ADORA2BTMIGD3ABCB1
SCHEMBL5162197 0.87 ADORA2A (0.59) ADORA2AADORA1ADORA2BTMIGD3ABCB1
SCHEMBL5163823 0.87 ADORA2A (0.65) ADORA2AADORA1ADORA2BTMIGD3ABCB1
SCHEMBL5162807 0.85 ADORA2A (0.57) ADORA2AADORA1ADORA2BTMIGD3ABCB1
SCHEMBL5160615 0.84 ADORA2A (0.56) ADORA2AADORA1ADORA2BTMIGD3ABCB1
SCHEMBL5160531 0.84 ADORA2A (0.48) ADORA2AADORA1ADORA2BTMIGD3ABCB1
SCHEMBL5160385 0.83 ADORA2A (0.50) ADORA2AADORA1ADORA2BTMIGD3ABCB1
SCHEMBL5160328 0.82 ADORA2A (0.47) ADORA2AADORA1ADORA2BTMIGD3ABCB1
SCHEMBL5161101 0.82 ADORA1 (0.50) ADORA2AADORA1ADORA2BTMIGD3ABCB1
SCHEMBL5159173 0.81 ADORA2A (0.46) ADORA2AADORA1ADORA2BTMIGD3ABCB1

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.