SCHEMBL31404993

SCHEMBL31404993

CO[C@@H]1CCN(Cc2ccc(-c3c(C)cc(Cl)cc3O)nn2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 13/20 0.39
▸ IL1B P01584 9/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ CHRM1 P11229 1/20 0.35

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
SCHEMBL31405114 1.00 NLRP3 (0.39) NLRP3IL1BKCNH2TNFPDK1
SCHEMBL31405042 0.87 IL1B (0.54) NLRP3IL1BKCNH2TNF
SCHEMBL31405091 0.87 IL1B (0.54) NLRP3IL1BKCNH2TNF
SCHEMBL31405095 0.81 NLRP3 (0.42) NLRP3IL1BKCNH2TNFHTR2A
SCHEMBL31405102 0.75 SPR (0.37) NLRP3IL1BKCNH2
SCHEMBL31405040 0.74 IL1B (0.55) NLRP3IL1BKCNH2TNF
SCHEMBL31404980 0.74 IL1B (0.55) NLRP3IL1BKCNH2TNF
SCHEMBL31405055 0.72 NLRP3 (0.37) NLRP3IL1BKCNH2TNF
SCHEMBL31405017 0.72 IL1B (0.41) NLRP3IL1BTNF
SCHEMBL31405105 0.71 IL1B (0.36) NLRP3IL1BTNF

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-20250115558-A1 PYRIDAZINE DERIVATIVES AND RELATED USES NODTHERA LTD (GB) 2025-04-10 — — 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-20250115558-A1 PYRIDAZINE DERIVATIVES AND RELATED USES IL1B, NLRP3, NOD1 NLRP3 2/4885IL1B 1/4885KCNH2 3204/4885

“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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