SCHEMBL29325612

SCHEMBL29325612

CC(=O)NCc1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.51
JAK2 O60674 2/20 0.40
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
BTK Q06187 2/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
DHFR P00374 1/20 0.33
PDPK1 O15530 1/20 0.33
NAMPT P43490 1/20 0.33
METTL3 Q86U44 1/20 0.33

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
Water SCHEMBL30837701 0.82 NLRP3 (0.48) NLRP3JAK2ROCK2ROCK1MTNR1A
SCHEMBL29325558 0.82 NLRP3 (0.53) NLRP3JAK2BTKDHFR
SCHEMBL29317951 0.81 NLRP3 (0.51) NLRP3JAK2BTKDHFR
SCHEMBL29315928 0.81 NLRP3 (0.56) NLRP3JAK2BTKPDPK1NAMPT
SCHEMBL29315931 0.81 NLRP3 (0.55) NLRP3JAK2PDPK1NAMPT
SCHEMBL29317953 0.81 NLRP3 (0.50) NLRP3JAK2BTKDHFR
SCHEMBL29325573 0.81 NLRP3 (0.60) NLRP3JAK2BTKPDPK1
SCHEMBL23037611 0.80 NLRP3 (0.52) NLRP3JAK2DHFR
SCHEMBL23037569 0.80 NLRP3 (0.47) NLRP3JAK2ROCK2ROCK1AAK1
SCHEMBL23037612 0.79 NLRP3 (0.56) NLRP3JAK2BTKPDPK1

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 3101/4885ROCK2 3719/4885

“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.