SCHEMBL22256141

SCHEMBL22256141

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.38
TLR7 Q9NYK1 2/20 0.38
CHUK O15111 2/20 0.37
NLRP3 Q96P20 2/20 0.36
SYK P43405 3/20 0.35
AURKB Q96GD4 2/20 0.35
KCNH2 Q12809 1/20 0.35
GAK O14976 2/20 0.35
PTPN1 P18031 1/20 0.35
ILK Q13418 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
IKBKB O14920 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
SCHEMBL22256208 0.93 TLR8 (0.41) TLR8TLR7NLRP3SYKAURKB
SCHEMBL22234541 0.83 GAK (0.34) SYKAURKBGAKKDM4ECYP2C19
SCHEMBL22256210 0.82 PGK1 (0.41) TLR8TLR7NLRP3KCNH2
SCHEMBL22256209 0.82 APP (0.36) TLR8TLR7NLRP3
SCHEMBL22249446 0.80 CHUK (0.40) CHUKSYKPTPN1ILKKDM4E
SCHEMBL22249445 0.80 CHUK (0.40) CHUKSYKKCNH2PTPN1ILK
SCHEMBL22256195 0.79 DHFR (0.38) AURKB
SCHEMBL22234377 0.79 GAK (0.34) SYKGAKKDM4ECYP2D6CYP2C19
SCHEMBL22234500 0.78 CYP2D6 (0.42) TLR7CHUKGAKCYP2D6
SCHEMBL22234274 0.77 NLRP3 (0.47) NLRP3SYKKCNH2ILKPRKCD

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 236/4885CHUK 361/4885

“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.