SCHEMBL5356774

SCHEMBL5356774

CC/C=C/CCCn1c(-c2ccco2)nc2c(N)nc(SCCCc3ccccc3)nc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.55
ADORA2A P29274 11/20 0.55
ADORA2B P29275 10/20 0.55
TMIGD3 P0DMS9 7/20 0.55
ADORA3 P0DMS8 4/20 0.44
PDE4B Q07343 3/20 0.44
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASR P41180 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
SCHEMBL5356784 1.00 ADORA1 (0.55) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5160258 0.97 ADORA1 (0.55) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5160265 0.97 ADORA1 (0.55) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5163907 0.89 ADORA2A (0.62) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5158575 0.88 ADORA2A (0.61) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5163815 0.88 ADORA2A (0.59) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5161730 0.85 ADORA2A (0.55) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5160437 0.85 ADORA2A (0.61) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5161297 0.85 ADORA2A (0.60) ADORA1ADORA2AADORA2BTMIGD3ADORA3
SCHEMBL5162982 0.84 ADORA1 (0.56) 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 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 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.