SCHEMBL29315844

SCHEMBL29315844

CC(C)(C)Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.53
JAK2 O60674 1/20 0.39
NOTUM Q6P988 4/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
AKT1 P31749 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHEK1 O14757 1/20 0.32
COMT P21964 1/20 0.32
POLB P06746 1/20 0.32
PTPN11 Q06124 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
SCHEMBL26781745 0.93 NLRP3 (0.52) NLRP3JAK2NOTUMNPC1RAB9A
SCHEMBL26781465 0.92 NLRP3 (0.52) NLRP3JAK2NOTUMTLR8TLR7
SCHEMBL26789397 0.89 NLRP3 (0.49) NLRP3JAK2NOTUMNPC1RAB9A
SCHEMBL26789644 0.88 NLRP3 (0.49) NLRP3JAK2NOTUMAKT1ADORA3
SCHEMBL26785707 0.86 NLRP3 (0.50) NLRP3JAK2NPC1RAB9AAKT1
SCHEMBL26785180 0.86 NLRP3 (0.51) NLRP3JAK2AKT1TLR7
SCHEMBL26789363 0.86 NLRP3 (0.51) NLRP3JAK2AKT1CHEK1
SCHEMBL26785206 0.84 NLRP3 (0.52) NLRP3JAK2NOTUMNPC1RAB9A
SCHEMBL29325656 0.84 NLRP3 (0.49) NLRP3JAK2TLR8TLR7
SCHEMBL26785619 0.84 NLRP3 (0.52) NLRP3JAK2NOTUMNPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US 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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD NLRP3 1/4885JAK2 3101/4885NOTUM 4270/4885

“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.