SCHEMBL5160778

SCHEMBL5160778

CC/C=C/CCCn1c(Br)nc2c(N)nc(SCCCc3ccccc3)nc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.51
ADORA1 P30542 8/20 0.51
ADORA2B P29275 6/20 0.51
TMIGD3 P0DMS9 5/20 0.51
KDM1A O60341 1/20 0.38
TNF P01375 1/20 0.37
NOD2 Q9HC29 1/20 0.37
ABCB1 P08183 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
RECQL P46063 1/20 0.35
MDM2 Q00987 1/20 0.35
MEN1 O00255 1/20 0.35
S1PR2 O95136 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5160783 1.00 ADORA2A (0.51) ADORA2AADORA1ADORA2BTMIGD3KDM1A
SCHEMBL5158941 0.96 ADORA2A (0.50) ADORA2AADORA1ADORA2BTMIGD3ABCB1
SCHEMBL5158948 0.96 ADORA2A (0.50) ADORA2AADORA1ADORA2BTMIGD3ABCB1
SCHEMBL5162807 0.88 ADORA2A (0.57) ADORA2AADORA1ADORA2BTMIGD3KDM1A
SCHEMBL5163823 0.87 ADORA2A (0.65) ADORA2AADORA1ADORA2BTMIGD3KDM1A
SCHEMBL5160615 0.87 ADORA2A (0.56) ADORA2AADORA1ADORA2BTMIGD3KDM1A
SCHEMBL5162197 0.86 ADORA2A (0.59) ADORA2AADORA1ADORA2BTMIGD3KDM1A
SCHEMBL5356774 0.84 ADORA1 (0.55) ADORA2AADORA1ADORA2BTMIGD3ALDH1A1
SCHEMBL5356784 0.84 ADORA1 (0.55) ADORA2AADORA1ADORA2BTMIGD3ALDH1A1
SCHEMBL5160385 0.84 ADORA2A (0.50) ADORA2AADORA1ADORA2BTMIGD3KDM1A

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.