SCHEMBL20756629

SCHEMBL20756629

CCCOc1nc(N)c2ncn(Cc3ccc(Cl)nc3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.43
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE8A O60658 1/20 0.41
CYP3A4 P08684 2/20 0.40

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
SCHEMBL4129389 0.95 TLR7 (0.48) TLR7CYP3A4
SCHEMBL21076543 0.91 TLR7 (0.44) TLR7ADORA2AADORA2BPDE4APDE4B
SCHEMBL7205144 0.85 PDE4A (0.58) TLR7ADORA2APDE4APDE4BPDE4C
SCHEMBL21076558 0.83 TLR7 (0.57) TLR7ADORA2AADORA2BPDE4APDE4B
SCHEMBL15306090 0.83 NSD2 (0.46) TLR7ADORA2AADORA2BPDE4APDE4B
SCHEMBL10174248 0.82 TLR7 (0.47) TLR7ADORA2AADORA2BCYP3A4
SCHEMBL20756520 0.81 TLR7 (0.50) TLR7
SCHEMBL4476974 0.81 TLR7 (0.48) TLR7
SCHEMBL22404117 0.81 TLR7 (0.50) TLR7
SCHEMBL22404116 0.80 TLR7 (0.49) TLR7

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-20200283482-A1 BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2020-09-10 US disclosed
WO-2019034868-A1 BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2019-02-21 WO 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-20200283482-A1 BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF PRRC2A, GRPR, QRFPR TLR7 83/4885ADORA2A 730/4885ADORA2B 1194/4885

“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.