SCHEMBL5160809

SCHEMBL5160809

COc1ccc(CCn2cnc3c(N)nc(SCCCc4ccccc4)nc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.48
ADORA1 P30542 5/20 0.48
TMIGD3 P0DMS9 4/20 0.48
ADORA2B P29275 2/20 0.46
ADORA3 P0DMS8 1/20 0.44
NSD3 Q9BZ95 1/20 0.43
POLB P06746 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ABCB1 P08183 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5164686 0.95 ADORA2A (0.51) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL5177683 0.91 ADORA2A (0.57) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL1286288 0.86 ADORA2A (0.64) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL5162437 0.85 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL1286132 0.84 ADORA2A (0.57) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL5159106 0.83 ADORA2A (0.51) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL5161279 0.83 ADORA2A (0.56) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL5160523 0.82 ADORA2A (0.49) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL5161101 0.82 ADORA1 (0.50) ADORA2AADORA1TMIGD3ADORA2BSIGMAR1
SCHEMBL1286075 0.81 ADORA3 (0.51) ADORA2AADORA1TMIGD3ADORA2BADORA3

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 4/4885TMIGD3 1730/4885

“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.