SCHEMBL29315928

SCHEMBL29315928

CCCc1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.56
JAK2 O60674 1/20 0.44
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA1 P30542 1/20 0.36
CHEK1 O14757 2/20 0.36
NOTUM Q6P988 2/20 0.35
PDPK1 O15530 1/20 0.34
NAMPT P43490 1/20 0.34
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
BTK Q06187 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
SCHEMBL29315931 0.94 NLRP3 (0.55) NLRP3JAK2CYP1A2CYP3A4CYP2D6
SCHEMBL23037611 0.90 NLRP3 (0.52) NLRP3JAK2NPC1RAB9ACHEK1
SCHEMBL29317951 0.89 NLRP3 (0.51) NLRP3JAK2NPC1RAB9ACHEK1
SCHEMBL23037612 0.88 NLRP3 (0.56) NLRP3JAK2NPC1RAB9ACHEK1
SCHEMBL29317953 0.88 NLRP3 (0.50) NLRP3JAK2NPC1RAB9ACHEK1
SCHEMBL29325558 0.87 NLRP3 (0.53) NLRP3JAK2NPC1RAB9ACHEK1
SCHEMBL29325573 0.86 NLRP3 (0.60) NLRP3JAK2NPC1RAB9ACHEK1
SCHEMBL27194820 0.84 NLRP3 (0.49) NLRP3JAK2NAMPT
Water SCHEMBL30837701 0.84 NLRP3 (0.48) NLRP3JAK2NAMPT
SCHEMBL29325612 0.81 NLRP3 (0.51) NLRP3JAK2PDPK1NAMPTBTK

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 3101/4885CYP1A2 558/4885

“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.