SCHEMBL25356861

SCHEMBL25356861

CC(C)n1nc(CCO)c(=O)c2ccc(Br)cc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 4/20 0.57
▸ PDGFRA P16234 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ CHEK1 O14757 2/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ EGLN1 Q9GZT9 2/20 0.32
▸ CMKLR1 Q99788 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ PTGER1 P34995 1/20 0.31
▸ PTGER3 P43115 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ EZH2 Q15910 1/20 0.31
▸ SSTR5 P35346 2/20 0.31
▸ MCL1 Q07820 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
SCHEMBL29494685 0.84 NLRP3 (0.52) NLRP3PDGFRACDK5TYRO3POLB
SCHEMBL29492185 0.84 NLRP3 (0.64) NLRP3PDGFRACDK5TYRO3POLB
SCHEMBL25356354 0.81 NLRP3 (0.64) NLRP3PDGFRACDK5TYRO3POLB
SCHEMBL29494681 0.81 NLRP3 (0.39) NLRP3PDGFRACDK5TYRO3CHEK1
SCHEMBL25431544 0.79 NLRP3 (0.59) NLRP3TYRO3POLBMAPK8LMNA
SCHEMBL25357358 0.77 NLRP3 (0.48) NLRP3PDGFRACDK5TYRO3CHEK1
SCHEMBL25360566 0.77 NLRP3 (0.48) NLRP3PDGFRACDK5TYRO3CHEK1
SCHEMBL705011 0.76 NLRP3 (0.47) NLRP3PDGFRACDK5TYRO3POLB
SCHEMBL25357137 0.74 NLRP3 (0.44) NLRP3PDGFRACDK5TYRO3CHEK1
SCHEMBL25356370 0.73 NLRP3 (0.53) NLRP3PDGFRACDK5TYRO3MAPK8

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 6 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
CN-116323585-A New compounds 詹森药业有限公司 2023-06-23 — — CN disclosed
WO-2022063876-A1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-03-31 — — WO disclosed
EP-3974415-A1 NLRP3 MODULATORS Janssen Pharmaceutica NV (BE) 2022-03-30 — — 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 1/4885PDGFRA 4323/4885CDK5 1965/4885

“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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