SCHEMBL24409504

SCHEMBL24409504

CCCCc1nc2c(N)nc3cccc(CCCCCN(C)CCC)c3c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.40
SIGMAR1 Q99720 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
PRKCD Q05655 1/20 0.36
PAK1 Q13153 1/20 0.36
CAMK2B Q13554 1/20 0.36
CAMK2G Q13555 1/20 0.36
CAMK2D Q13557 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36

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
SCHEMBL23421553 0.89 TLR8 (0.38) TLR8TLR7PI4KAPI4K2BPI4K2A
SCHEMBL18585619 0.86 TLR8 (0.52) TLR8TLR7
SCHEMBL18587553 0.85 TLR8 (0.50) TLR8TLR7PI4KAPI4K2BPI4K2A
SCHEMBL20624057 0.85 TLR8 (0.40) TLR8TLR7
SCHEMBL23421950 0.84 TLR8 (0.36) TLR8TLR7CSNK1A1CSNK1DPRKCD
SCHEMBL21976788 0.82 TLR8 (0.39) TLR8TLR7CSNK1A1CSNK1DPRKCD
SCHEMBL23422321 0.81 TLR8 (0.37) TLR8TLR7
SCHEMBL18587589 0.80 TLR8 (0.48) TLR8TLR7CSNK1A1CSNK1DPRKCD
SCHEMBL23113622 0.79 TLR8 (0.34) TLR8TLR7
SCHEMBL22451581 0.78 SIGMAR1 (0.40) TLR8SIGMAR1TLR7PI4KAPI4K2B

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-20220152215-A1 Immunoconjugates Targeting CEA BOLT BIOTHERAPEUTICS, INC. (US) 2022-05-19 US disclosed
US-20220143012-A1 Macromolecule-Supported TLR Agonists BOLT BIOTHERAPEUTICS, INC. (US) 2022-05-12 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-20220152215-A1 Immunoconjugates Targeting CEA CD47, FCGR3B, FCGR1A TLR8 1941/4885SIGMAR1 3350/4885TLR7 797/4885
US-20220143012-A1 Macromolecule-Supported TLR Agonists TLR8, TLR7, TLR9 TLR8 1/4885SIGMAR1 261/4885TLR7 2/4885

“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.