SCHEMBL5164060

SCHEMBL5164060

C=CCn1c(Br)nc2c(N)nc(NCCc3ccccc3)nc21

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.72
ADORA2A P29274 16/20 0.72
ADORA2B P29275 13/20 0.72
TMIGD3 P0DMS9 9/20 0.72
ADORA3 P0DMS8 5/20 0.49
APP P05067 1/20 0.47
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5163627 0.94 ADORA1 (0.73) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5160535 0.86 ADORA2A (0.85) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL7204596 0.86 ADORA1 (0.78) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5160867 0.85 ADORA2A (0.83) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5160172 0.83 ADORA2A (1.00) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5161883 0.83 ADORA2A (0.75) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5163760 0.83 ADORA2A (0.72) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5163997 0.81 ADORA2A (0.75) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5161692 0.81 ADORA2A (0.72) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5161344 0.81 ADORA2A (0.86) ADORA1ADORA2AADORA2BTMIGD3ADORA3

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 ADORA1 4/4885ADORA2A 1/4885ADORA2B 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.