SCHEMBL21076723

SCHEMBL21076723

Nc1nc(Cl)nc2c1ncn2Cc1ccc(C=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE8A O60658 10/20 0.57
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
YTHDC1 Q96MU7 4/20 0.48
HDAC6 Q9UBN7 2/20 0.48
CDK1 P06493 1/20 0.48
CFTR P13569 1/20 0.46
ADORA2A P29274 1/20 0.46
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL13596787 0.86 PDE8A (0.62) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL7204689 0.84 PDE8A (0.60) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL1146681 0.84 YTHDC1 (0.67) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL2060472 0.83 PDE4A (0.67) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL21076536 0.82 PDE4A (0.45) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL25511872 0.81 MEN1 (0.59) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL23764385 0.81 PDE8A (0.59) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL822875 0.81 PDE8A (0.56) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL31139250 0.80 YTHDC1 (0.48) PDE8APDE4APDE4BPDE4CPDE4D
SCHEMBL2060105 0.80 PDE8A (0.55) PDE8APDE4APDE4BPDE4CPDE4D

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
EP-3450433-B1 PURINE DERIVATIVES AS TLR7 INHIBITORS FOR TREATING E.G. SYSTEMIC LUPUS ERYTHEMATOSUS SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2021-08-18 EP disclosed
US-10703755-B2 Substituted purine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-07-07 US disclosed
US-20190169191-A1 SUBSTITUTED PURINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-06-06 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 (2 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-10703755-B2 Substituted purine derivative TLR7, TLR9, TLR1 PDE8A 1421/4885PDE4A 437/4885PDE4B 573/4885
US-20190169191-A1 SUBSTITUTED PURINE DERIVATIVE TLR7, TLR9, TLR1 PDE8A 1421/4885PDE4A 437/4885PDE4B 573/4885

“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.