SCHEMBL29314838

SCHEMBL29314838

Nc1nc2cc(-c3ccn[nH]3)ccc2c2nn(CCNC(=O)c3csc(Cl)n3)nc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.43
NAMPT P43490 3/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CHEK1 O14757 1/20 0.33
P2RX7 Q99572 1/20 0.33
YES1 P07947 1/20 0.32
PDGFRB P09619 1/20 0.32
SRC P12931 1/20 0.32
EPHB4 P54760 1/20 0.32
JAK2 O60674 1/20 0.31
LIMK1 P53667 1/20 0.31
PIM1 P11309 1/20 0.31
ELOVL1 Q9BW60 1/20 0.31
ELOVL6 Q9H5J4 1/20 0.31
ELOVL3 Q9HB03 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
SCHEMBL29314840 0.88 NLRP3 (0.44) NLRP3
SCHEMBL29322560 0.84 NLRP3 (0.43) NLRP3NAMPTELOVL1ELOVL6ELOVL3
SCHEMBL27194823 0.79 NLRP3 (0.49) NLRP3NAMPTROCK2ROCK1JAK2
SCHEMBL23037647 0.76 NLRP3 (0.53) NLRP3AKT1CHEK1JAK2
SCHEMBL30539887 0.76 NLRP3 (0.53) NLRP3AKT1CHEK1JAK2
SCHEMBL29314845 0.74 NLRP3 (0.52) NLRP3AKT1ROCK2ROCK1JAK2
SCHEMBL30539937 0.73 NLRP3 (0.41) NLRP3
SCHEMBL23037648 0.73 NLRP3 (0.41) NLRP3
SCHEMBL23037706 0.72 SRC (0.31) NAMPTYES1PDGFRBSRCEPHB4
SCHEMBL29314706 0.72 TLR8 (0.34) NAMPTYES1PDGFRBSRCEPHB4

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 1/4885NAMPT 122/4885AKT1 3066/4885

“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.