SCHEMBL22249556

SCHEMBL22249556

CCCCNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.81
TLR7 Q9NYK1 7/20 0.48
TLR8 Q9NR97 4/20 0.48
APP P05067 1/20 0.47
ELANE P08246 1/20 0.43
ACP1 P24666 1/20 0.42
LATS1 O95835 1/20 0.41
LATS2 Q9NRM7 1/20 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
SCHEMBL22249557 0.97 NLRP3 (0.79) NLRP3TLR7TLR8APPELANE
SCHEMBL22249404 0.89 NLRP3 (0.73) NLRP3APP
SCHEMBL23513877 0.89 NLRP3 (0.77) NLRP3TLR7TLR8APP
SCHEMBL22249561 0.88 NLRP3 (0.72) NLRP3TLR7APP
SCHEMBL22249490 0.88 NLRP3 (0.72) NLRP3APP
SCHEMBL22249577 0.87 NLRP3 (0.75) NLRP3APPLATS1LATS2
SCHEMBL22249580 0.87 NLRP3 (0.74) NLRP3TLR7APP
SCHEMBL22249488 0.87 NLRP3 (0.71) NLRP3APP
SCHEMBL22249579 0.87 NLRP3 (0.74) NLRP3TLR7TLR8APP
SCHEMBL28738541 0.85 NLRP3 (0.78) NLRP3APP

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-20220089571-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-03-24 US disclosed
WO-2020150113-A1 SUBSTITUTED QUINAZOLINES AS NLRP3 MODULATORS, FOR USE IN THE TREATMENT OF CANCER INNATE TUMOR IMMUNITY, INC. (US) 2020-07-23 WO 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-20220089571-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD NLRP3 1/4885TLR7 245/4885TLR8 249/4885

“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.