SCHEMBL22249394

SCHEMBL22249394

Nc1nc(NCc2nccs2)c2ccc(-c3ccn[nH]3)cc2n1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 11/20 0.67
TLR7 Q9NYK1 2/20 0.44
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
APP P05067 2/20 0.36
JAK2 O60674 1/20 0.36
RIPK2 O43353 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.34

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
SCHEMBL22249415 0.84 NLRP3 (0.73) NLRP3APPJAK2
SCHEMBL22249320 0.82 NLRP3 (0.67) NLRP3HRH4APPJAK2RIPK2
SCHEMBL22249598 0.81 NLRP3 (0.66) NLRP3DYRK1AAPPJAK2RIPK2
SCHEMBL22249597 0.80 NLRP3 (0.68) NLRP3TLR7APPJAK2
SCHEMBL22249419 0.80 NLRP3 (0.68) NLRP3APPJAK2
SCHEMBL22249584 0.80 NLRP3 (0.68) NLRP3CLK1CLK2DYRK1ACLK4
SCHEMBL28738541 0.80 NLRP3 (0.78) NLRP3APPJAK2
SCHEMBL22249413 0.80 NLRP3 (0.67) NLRP3APPJAK2
SCHEMBL22249414 0.80 NLRP3 (0.67) NLRP3APPJAK2
SCHEMBL22249410 0.79 NLRP3 (0.69) NLRP3APPJAK2

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 245/4885CLK1 4289/4885

“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.