SCHEMBL22256208

SCHEMBL22256208

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.41
TLR7 Q9NYK1 3/20 0.41
SYK P43405 4/20 0.40
KCNH2 Q12809 2/20 0.40
AURKB Q96GD4 2/20 0.40
ILK Q13418 2/20 0.36
NUDT1 P36639 1/20 0.36
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
NLRP3 Q96P20 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 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
SCHEMBL22256141 0.93 TLR8 (0.38) TLR8TLR7SYKKCNH2AURKB
SCHEMBL22234274 0.84 NLRP3 (0.47) SYKKCNH2ILKPRKCAPRKCD
SCHEMBL22234415 0.81 ILK (0.37) TLR8TLR7SYKAURKBILK
SCHEMBL30930059 0.81 ILK (0.37) TLR8TLR7SYKAURKBILK
SCHEMBL22256210 0.81 PGK1 (0.41) TLR8TLR7KCNH2NLRP3CYP1A2
SCHEMBL22256209 0.80 APP (0.36) TLR8TLR7NLRP3
SCHEMBL22256177 0.80 NLRP3 (0.53) TLR8TLR7SYKKCNH2AURKB
SCHEMBL22234422 0.80 ILK (0.38) TLR8TLR7SYKKCNH2AURKB
SCHEMBL22234173 0.80 TLR8 (0.37) TLR8TLR7SYKKCNH2ILK
SCHEMBL22234168 0.80 ILK (0.39) TLR8TLR7SYKAURKBILK

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 TLR8 210/4885TLR7 236/4885SYK 1368/4885

“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.