SCHEMBL29320261

SCHEMBL29320261

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)c3cccnc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
AR P10275 2/20 0.37
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
CFTR P13569 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
WNT1 P04628 2/20 0.35
DYRK1A Q13627 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL26783927 0.94 TLR8 (0.38) TLR8TLR7ARLIMK1LIMK2
SCHEMBL29320239 0.91 TLR7 (0.41) TLR8TLR7MEN1KMT2ACYP1A2
SCHEMBL29320251 0.90 NAMPT (0.36) TLR8TLR7CFTRMEN1KMT2A
SCHEMBL29314693 0.88 MCHR1 (0.40) MEN1KMT2AADORA3DYRK1ANAMPT
SCHEMBL29314687 0.88 NAMPT (0.39) TLR8TLR7ADORA3DYRK1ANAMPT
SCHEMBL29314696 0.88 BACE1 (0.38) CFTRMEN1KMT2AADORA3
SCHEMBL29320672 0.87 TLR8 (0.37) TLR8TLR7ARADORA3WNT1
SCHEMBL23037631 0.86 TLR7 (0.44) TLR8TLR7CYP1A2HPGDNAMPT
SCHEMBL29314632 0.86 ABL1 (0.45) NAMPT
SCHEMBL29314631 0.86 ABL1 (0.45) TLR8TLR7MEN1KMT2ACYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 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 (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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD TLR8 210/4885TLR7 236/4885AR 1757/4885

“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.