SCHEMBL22180983

SCHEMBL22180983

CC(C)NCCCCn1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 18/20 0.64
▸ LMNA P02545 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ HRH2 P25021 1/20 0.64
▸ ADRA1D P25100 1/20 0.64
▸ HTR2A P28223 1/20 0.64
▸ ADORA2A P29274 1/20 0.64
▸ ADRA1A P35348 1/20 0.64
▸ NUDT1 P36639 1/20 0.64
▸ HTR2B P41595 1/20 0.64
▸ PDE4D Q08499 1/20 0.64
▸ KCNH2 Q12809 1/20 0.64
▸ CACNA2D1 P54289 1/20 0.43
▸ TLR8 Q9NR97 10/20 0.41

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
SCHEMBL20284100 0.87 TLR7 (0.61) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL14592751 0.85 TLR7 (0.56) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL20647740 0.84 TLR7 (0.61) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL22803635 0.83 TLR7 (0.65) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL13956155 0.83 TLR7 (0.56) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL13937462 0.83 TLR7 (0.56) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3885227 0.83 TLR7 (0.66) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3177482 0.82 TLR7 (0.64) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL15924735 0.82 TLR7 (0.64) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL10587620 0.82 TLR7 (0.64) TLR7LMNAPOLBHRH2ADRA1D

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
US-20210284750-A1 Immunoconjugate Synthesis Method BOLT BIOTHERAPEUTICS, INC. (US) 2021-09-16 — — US disclosed
US-11110178-B2 Antibody adjuvant conjugates THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIVERSITY (US) 2021-09-07 — — US disclosed
US-20200206357-A1 ANTIBODY ADJUVANT CONJUGATES BOLT BIOTHERAPEUTICS, INC. 2020-07-02 — — 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 (3 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-20200206357-A1 ANTIBODY ADJUVANT CONJUGATES FCGR1A, FCGR3B, FCGR2A TLR7 58/4885LMNA 4842/4885POLB 2398/4885
US-20210284750-A1 Immunoconjugate Synthesis Method FCGR3B, FCGR1A, FCGR2A TLR7 84/4885LMNA 1876/4885POLB 1569/4885
US-11110178-B2 Antibody adjuvant conjugates FCGR1A, FCGR3B, FCGR2A TLR7 58/4885LMNA 4842/4885POLB 2398/4885

“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.

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