SCHEMBL5161379

SCHEMBL5161379

CC(C)Cn1c(Br)nc2c(N)nc(SCCc3ccccc3)nc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.50
ADORA1 P30542 7/20 0.50
ADORA2B P29275 5/20 0.50
ADORA3 P0DMS8 2/20 0.50
TMIGD3 P0DMS9 3/20 0.47
ABCB1 P08183 5/20 0.46
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
FBP1 P09467 1/20 0.39
KDM1A O60341 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5160531 0.95 ADORA2A (0.48) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL5160212 0.91 ADORA2A (0.46) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL5158659 0.87 ADORA2A (0.53) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL5160328 0.86 ADORA2A (0.47) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL5161416 0.86 ADORA2A (0.62) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL5163854 0.85 ADORA2A (0.65) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL7205857 0.83 ADORA2A (0.53) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL5163515 0.83 ADORA2A (0.57) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL5160564 0.82 ABCB1 (0.51) ADORA2AADORA1ADORA2BADORA3TMIGD3
SCHEMBL5161671 0.82 ADORA2A (0.46) ADORA2AADORA1ADORA2BADORA3TMIGD3

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.