SCHEMBL5161141

SCHEMBL5161141

C=CCn1c(Br)nc2c(N)nc(SCCCc3ccccc3)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.47
ADORA1 P30542 7/20 0.47
ADORA2B P29275 4/20 0.47
ADORA3 P0DMS8 2/20 0.47
TMIGD3 P0DMS9 3/20 0.46
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TNF P01375 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
ABCB1 P08183 2/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5163970 0.95 ADORA2A (0.50) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL5162197 0.87 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL5163823 0.84 ADORA2A (0.65) ADORA2AADORA1ADORA2BTMIGD3ABCB1
SCHEMBL5159173 0.83 ADORA2A (0.46) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL5160531 0.83 ADORA2A (0.48) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL5160385 0.82 ADORA2A (0.50) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL5162807 0.82 ADORA2A (0.57) ADORA2AADORA1ADORA2BTMIGD3ALDH1A1
SCHEMBL5161094 0.82 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL5160328 0.82 ADORA2A (0.47) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL5160615 0.82 ADORA2A (0.56) ADORA2AADORA1ADORA2BTMIGD3ALDH1A1

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 1/4885ADORA1 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.