SCHEMBL29314843

SCHEMBL29314843

CN(C)CCn1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.56
JAK2 O60674 1/20 0.40
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NOTUM Q6P988 2/20 0.33
CHEK1 O14757 2/20 0.33
BRAF P15056 2/20 0.33
AKT1 P31749 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30539887 0.87 NLRP3 (0.53) NLRP3JAK2NPC1RAB9ANOTUM
SCHEMBL23037647 0.87 NLRP3 (0.53) NLRP3JAK2NPC1RAB9ANOTUM
SCHEMBL29314845 0.85 NLRP3 (0.52) NLRP3JAK2NPC1RAB9ANOTUM
SCHEMBL26785286 0.85 NLRP3 (0.56) NLRP3JAK2NPC1RAB9ANOTUM
SCHEMBL27194823 0.77 NLRP3 (0.49) NLRP3JAK2NOTUM
SCHEMBL29322759 0.74 TLR8 (0.53) NLRP3JAK2NPC1RAB9ANOTUM
SCHEMBL26785249 0.74 NLRP3 (0.54) NLRP3JAK2CHEK1AKT1
SCHEMBL29322768 0.74 NLRP3 (0.53) NLRP3JAK2NPC1RAB9ANOTUM
SCHEMBL23037612 0.74 NLRP3 (0.56) NLRP3JAK2NPC1RAB9ANOTUM
SCHEMBL23037604 0.74 NLRP3 (0.53) NLRP3JAK2NPC1RAB9A

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-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
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 3101/4885NPC1 84/4885

“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.