SCHEMBL21076606

SCHEMBL21076606

CN(C)Cc1ccc(Cn2cnc3c(N)nc(OCC4CC4)nc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.59
AXL P30530 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE8A O60658 2/20 0.39

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
SCHEMBL21076558 0.84 TLR7 (0.57) TLR7ADORA2AADORA2BPDE4APDE4B
SCHEMBL21076817 0.82 TLR7 (0.59) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL23764385 0.79 PDE8A (0.59) TLR7ADORA2APDE4APDE4BPDE4C
SCHEMBL19539581 0.78 TLR7 (0.59) TLR7ADORA2AADORA2BPDE4APDE4B
SCHEMBL12305263 0.77 CYP3A4 (0.47) TLR7AXLTYRO3MERTKADORA2A
SCHEMBL3959301 0.76 PDE4A (0.53) TLR7AXLTYRO3MERTKADORA2A
SCHEMBL3955278 0.76 AXL (0.56) TLR7AXLTYRO3MERTKADORA2A
SCHEMBL21076762 0.74 TLR7 (1.00) TLR7
SCHEMBL21449005 0.74 TLR7 (0.47) TLR7ADORA2APDE4APDE4BPDE4C
SCHEMBL23421267 0.73 TLR7 (0.48) TLR7PDE4APDE4BPDE4CPDE4D

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 TLR7 1/4885AXL 2383/4885TYRO3 640/4885
US-20190169191-A1 SUBSTITUTED PURINE DERIVATIVE TLR7, TLR9, TLR1 TLR7 1/4885AXL 2383/4885TYRO3 640/4885

“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.