SCHEMBL1333808

SCHEMBL1333808

CCCn1c(=O)c2c(nc(Cc3ccccc3)n2CC(N(CC)CC)N(CC)CC)n(CCc2ccc(NC(=O)CC(N)(CCCCCCN)C(=O)O)cc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
ADORA2B P29275 3/20 0.36
ADORA2A P29274 1/20 0.35
TLR7 Q9NYK1 2/20 0.34
ADORA1 P30542 1/20 0.34
TP53 P04637 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL1332451 0.90 TLR7 (0.43) MAPTADORA2BADORA2ATLR7ADORA1
SCHEMBL1333024 0.89 TLR7 (0.42) MAPTADORA2BADORA2ATLR7ADORA1
SCHEMBL4327693 0.88 ADORA1 (0.44) MAPTADORA2BADORA2ATLR7ADORA1
SCHEMBL1334537 0.83 ADORA2B (0.42) MAPTADORA2BADORA2AADORA1TP53
SCHEMBL5834314 0.81 ADORA1 (0.42) MAPTADORA2BADORA2AADORA1ADORA3
SCHEMBL1334451 0.79 ADORA1 (0.47) ADORA2BADORA2AADORA1ADORA3KMT2A
SCHEMBL4174562 0.77 TLR7 (0.44) MAPTADORA2BADORA2ATLR7ADORA1
SCHEMBL4165169 0.77 ADORA1 (0.48) MAPTADORA2BADORA2ATLR7ADORA1
SCHEMBL1333414 0.76 ADORA1 (0.48) MAPTADORA2BADORA2ATLR7ADORA1
SCHEMBL4165166 0.75 TLR7 (0.42) MAPTADORA2BADORA2ATLR7ADORA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110282031-A1 A1 ADENOSINE RECEPTOR DIAGNOSTIC PROBES WILSON CONSTANCE N (US) 2011-11-17 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-20110282031-A1 A1 ADENOSINE RECEPTOR DIAGNOSTIC PROBES ADORA1, ADORA3, ADORA2A MAPT 4267/4885ADORA2B 4/4885ADORA2A 3/4885

“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.