SCHEMBL29317953

SCHEMBL29317953

Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CCCO)cc12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.50
JAK2 O60674 2/20 0.43
CHEK1 O14757 2/20 0.35
NOTUM Q6P988 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DHFR P00374 1/20 0.33
BTK Q06187 2/20 0.32
ALK Q9UM73 1/20 0.32
RAD52 P43351 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
SCHEMBL29317951 0.94 NLRP3 (0.51) NLRP3JAK2CHEK1NOTUMNPC1
SCHEMBL29315931 0.89 NLRP3 (0.55) NLRP3JAK2CHEK1NOTUMNPC1
SCHEMBL23037611 0.89 NLRP3 (0.52) NLRP3JAK2CHEK1NOTUMNPC1
SCHEMBL29315928 0.88 NLRP3 (0.56) NLRP3JAK2CHEK1NOTUMNPC1
SCHEMBL29325558 0.86 NLRP3 (0.53) NLRP3JAK2CHEK1NOTUMNPC1
SCHEMBL23037612 0.85 NLRP3 (0.56) NLRP3JAK2CHEK1NOTUMNPC1
SCHEMBL29325573 0.83 NLRP3 (0.60) NLRP3JAK2CHEK1NOTUMNPC1
Water SCHEMBL30837701 0.81 NLRP3 (0.48) NLRP3JAK2
SCHEMBL29325612 0.81 NLRP3 (0.51) NLRP3JAK2DHFRBTK
SCHEMBL30539795 0.79 NLRP3 (0.47) NLRP3JAK2CHEK1NOTUMNPC1

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 3101/4885CHEK1 1833/4885

“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.