SCHEMBL5356672

SCHEMBL5356672

CCc1nc2c(N)nc(NCCCc3ccccc3)nc2n1-c1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.54
ADORA1 P30542 14/20 0.54
ADORA2B P29275 11/20 0.54
TMIGD3 P0DMS9 7/20 0.54
TLR7 Q9NYK1 2/20 0.51
ADORA3 P0DMS8 5/20 0.50
CFTR P13569 1/20 0.48
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL5163699 0.94 ADORA1 (0.56) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL5163812 0.91 ADORA1 (0.60) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL5161117 0.85 ADORA2A (0.59) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL5159098 0.83 TLR7 (0.52) TLR7CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5160802 0.81 MAPT (0.41) ADORA2AADORA1TLR7ALDH1A1CYP1A2
SCHEMBL5164682 0.80 ABCB1 (0.45) ADORA2AADORA1TLR7ADORA3ALDH1A1
SCHEMBL5161917 0.80 TLR7 (0.51) ADORA2AADORA2BTLR7CYP1A2CYP3A4
SCHEMBL5162152 0.77 ADORA2A (0.75) ADORA2AADORA1ADORA2BTMIGD3TLR7
SCHEMBL5162148 0.77 ADORA2A (0.48) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL5356677 0.76 ADORA2A (0.75) ADORA2AADORA1ADORA2BTMIGD3TLR7

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 2 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
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.