SCHEMBL24077345

SCHEMBL24077345

CC(C)c1nn(CC(=O)Nc2ccc3nncn3n2)c(=O)c2ccc(C(F)(F)F)c(F)c12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 17/20 0.52
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1B1 P15121 1/20 0.35
TP53 P04637 1/20 0.33
MAPT P10636 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
SCHEMBL24077007 0.85 NLRP3 (0.59) NLRP3KMT2AAKR1B1
SCHEMBL24077213 0.85 NLRP3 (0.60) NLRP3AKR1B1MAPT
SCHEMBL30168573 0.85 NLRP3 (0.60) NLRP3AKR1B1MAPT
SCHEMBL24077227 0.83 NLRP3 (0.55) NLRP3AKR1B1
SCHEMBL24076982 0.83 NLRP3 (0.55) NLRP3AKR1B1
SCHEMBL24834877 0.83 NLRP3 (0.53) NLRP3
SCHEMBL24077195 0.81 NLRP3 (0.53) NLRP3AKR1B1
SCHEMBL24076990 0.81 NLRP3 (0.58) NLRP3
SCHEMBL24077286 0.81 NLRP3 (0.56) NLRP3MAPT
SCHEMBL24076985 0.80 NLRP3 (0.60) NLRP3

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-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 WO 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B NLRP3 1/4885MEN1 1965/4885KMT2A 4649/4885

“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.