SCHEMBL22249505

SCHEMBL22249505

Nc1nc(NCCc2cccnc2)c2ccc(-c3ccn[nH]3)cc2n1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.64
GBA1 P04062 7/20 0.48
APP P05067 2/20 0.48
PDE5A O76074 2/20 0.44
TLR7 Q9NYK1 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2B6 P20813 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39

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
SCHEMBL22249447 0.90 NLRP3 (0.67) NLRP3APPPDE5ACYP1A2CYP3A4
SCHEMBL20651894 0.84 NLRP3 (0.46) NLRP3GBA1PDE5ACYP2E1CYP2A6
SCHEMBL22249504 0.82 NLRP3 (0.64) NLRP3APPCYP1A2CYP3A4
SCHEMBL22249410 0.82 NLRP3 (0.69) NLRP3APP
SCHEMBL22249577 0.81 NLRP3 (0.75) NLRP3APP
SCHEMBL23513877 0.80 NLRP3 (0.77) NLRP3APPTLR7
SCHEMBL22249404 0.80 NLRP3 (0.73) NLRP3APPPDE5ACYP1A2
SCHEMBL22249556 0.80 NLRP3 (0.81) NLRP3APPTLR7
SCHEMBL22249557 0.79 NLRP3 (0.79) NLRP3GBA1APPTLR7CYP1A2
SCHEMBL22249490 0.79 NLRP3 (0.72) NLRP3APPPDE5A

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 1/4885GBA1 2729/4885APP 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.