SCHEMBL22249307

SCHEMBL22249307

Nc1nc(NCc2ccn(-c3ccccn3)n2)c2ccc(-c3ccn[nH]3)cc2n1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.70
TLR7 Q9NYK1 10/20 0.42
KCNH2 Q12809 2/20 0.42
HTR2A P28223 1/20 0.42
MPO P05164 1/20 0.38
TPO P07202 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL22249597 0.85 NLRP3 (0.68) NLRP3TLR7KCNH2HTR2A
SCHEMBL22249449 0.83 NLRP3 (1.00) NLRP3
SCHEMBL22249415 0.81 NLRP3 (0.73) NLRP3
SCHEMBL22249413 0.77 NLRP3 (0.67) NLRP3
SCHEMBL22249450 0.77 NLRP3 (0.67) NLRP3
SCHEMBL22249414 0.77 NLRP3 (0.67) NLRP3
SCHEMBL22249451 0.77 NLRP3 (0.72) NLRP3
SCHEMBL22249598 0.76 NLRP3 (0.66) NLRP3
SCHEMBL22249257 0.76 NLRP3 (0.66) NLRP3
SCHEMBL22249392 0.76 NLRP3 (0.68) NLRP3

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 245/4885KCNH2 3999/4885

“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.