SCHEMBL22249486

SCHEMBL22249486

Cn1cncc1CNc1nc(N)nc2cc(-c3ccn[nH]3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.66
PDPK1 O15530 1/20 0.35
APP P05067 4/20 0.34
JAK2 O60674 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 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
SCHEMBL20651466 0.85 NLRP3 (0.48) NLRP3JAK2
SCHEMBL22249320 0.81 NLRP3 (0.67) NLRP3PDPK1APPJAK2
SCHEMBL22249410 0.81 NLRP3 (0.69) NLRP3APPJAK2
SCHEMBL22249432 0.81 NLRP3 (0.72) NLRP3PDPK1APPJAK2
SCHEMBL22249451 0.81 NLRP3 (0.72) NLRP3PDPK1APPJAK2
SCHEMBL22249449 0.80 NLRP3 (1.00) NLRP3PDPK1APPJAK2PIK3CA
SCHEMBL22249415 0.79 NLRP3 (0.73) NLRP3APPJAK2
SCHEMBL22249489 0.79 NLRP3 (0.67) NLRP3PDPK1APPJAK2
SCHEMBL22249414 0.79 NLRP3 (0.67) NLRP3PDPK1APPJAK2
SCHEMBL22249447 0.79 NLRP3 (0.67) 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 1/4885PDPK1 1333/4885APP 402/4885

“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.