SCHEMBL22256209

SCHEMBL22256209

Nc1nc(NCc2cncnc2)c2ncc(-c3cc[nH]n3)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.36
NLRP3 Q96P20 1/20 0.35
CDK1 P06493 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL22256141 0.82 TLR8 (0.38) NLRP3TLR8TLR7
SCHEMBL22249565 0.82 APP (0.37) APPEGFR
SCHEMBL22249444 0.82 APP (0.37) APPEGFR
SCHEMBL22256208 0.80 TLR8 (0.41) NLRP3TLR8TLR7
SCHEMBL22249564 0.80 APP (0.43) APPEGFR
SCHEMBL22256195 0.77 DHFR (0.38)
SCHEMBL22256210 0.76 PGK1 (0.41) APPNLRP3TLR8TLR7
SCHEMBL22234620 0.72 KCNH2 (0.39)
SCHEMBL22234624 0.72 KCNH2 (0.39)
SCHEMBL22249410 0.69 NLRP3 (0.69) APPNLRP3

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-20220087991-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-03-24 US disclosed
WO-2020150114-A1 HETEROCYCLIC 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-20220087991-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD APP 321/4885NLRP3 1/4885CDK1 1415/4885

“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.