SCHEMBL29348104

SCHEMBL29348104

CN(C)c1nn(CC(=O)Nc2ccncn2)c(=O)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.46
AKR1B1 P15121 6/20 0.44
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL24077354 0.86 NLRP3 (0.56) NLRP3SMN1; SMN2AKR1B1MAPTTSHR
SCHEMBL24077070 0.86 NLRP3 (0.56) NLRP3SMN1; SMN2AKR1B1MAPTTSHR
SCHEMBL24076297 0.86 NLRP3 (0.56) NLRP3SMN1; SMN2AKR1B1MAPTTSHR
SCHEMBL24077266 0.85 NLRP3 (0.75) NLRP3SMN1; SMN2AKR1B1MAPTTSHR
SCHEMBL24077274 0.84 NLRP3 (0.66) NLRP3SMN1; SMN2AKR1B1MAPTTSHR
SCHEMBL24077265 0.84 NLRP3 (0.63) NLRP3SMN1; SMN2AKR1B1MAPTTSHR
SCHEMBL29348106 0.83 NLRP3 (0.47) NLRP3SMN1; SMN2AKR1B1MAPTTSHR
SCHEMBL24076874 0.82 NLRP3 (0.63) NLRP3SMN1; SMN2AKR1B1MAPTTSHR
SCHEMBL24076296 0.81 NLRP3 (0.51) NLRP3SMN1; SMN2AKR1B1MAPTTSHR
SCHEMBL30168553 0.81 NLRP3 (0.51) NLRP3SMN1; SMN2AKR1B1MAPTTSHR

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-20240239757-A1 PHTHALAZINONE DERIVATES AS NLRP3 INFLAMMASOME INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 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-20240239757-A1 PHTHALAZINONE DERIVATES AS NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, PYCARD NLRP3 1/4885SMN1; SMN2 4494/4885AKR1B1 320/4885

“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.