SCHEMBL25433452

SCHEMBL25433452

CC(C)n1nc(NC(=O)Nc2ccc3nncn3c2)c(=O)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 11/20 0.39
▸ RET P07949 1/20 0.37
▸ MLLT1 Q03111 1/20 0.36
▸ MCHR1 Q99705 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ MAOB P27338 1/20 0.34

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
SCHEMBL26909947 0.79 NLRP3 (0.47) NLRP3MLLT1MAOB
SCHEMBL24077256 0.71 NLRP3 (0.62) NLRP3
SCHEMBL24076410 0.70 NLRP3 (0.53) NLRP3
SCHEMBL24077348 0.70 NLRP3 (0.57) NLRP3MAPT
SCHEMBL24076317 0.69 NLRP3 (0.56) NLRP3MAPT
SCHEMBL24077350 0.69 NLRP3 (0.55) NLRP3MAPT
SCHEMBL24077270 0.69 NLRP3 (0.55) NLRP3MAPT
SCHEMBL24077405 0.69 NLRP3 (0.55) NLRP3MAPT
SCHEMBL29492084 0.68 POLB (0.48) NLRP3
SCHEMBL24077172 0.68 AKR1B1 (0.53) NLRP3MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217346-B1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2025-07-02 — — EP disclosed
US-20230391756-A1 NEW COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2023-12-07 — — US disclosed
EP-4217346-A1 NEW COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-08-02 — — EP 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-20230391756-A1 NEW COMPOUND NLRP3, NLRP1, IL1R1 NLRP3 1/4885RET 4475/4885MLLT1 3729/4885

“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.

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