SCHEMBL31404958

SCHEMBL31404958

CCOCOc1cc(C(F)(F)F)cc(C)c1-c1ccc(CNC2CCN(C)C2)nn1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 19/20 0.49
▸ NLRP3 Q96P20 7/20 0.49
▸ KCNH2 Q12809 1/20 0.39
▸ TNF P01375 1/20 0.37

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
Hydrochloric Acid SCHEMBL31405085 0.82 IL1B (0.70) IL1BNLRP3KCNH2TNF
SCHEMBL31405065 0.80 IL1B (0.43) IL1BNLRP3KCNH2TNF
SCHEMBL31405092 0.78 IL1B (0.34) IL1BNLRP3KCNH2
SCHEMBL31405016 0.77 IL1B (0.40) IL1BNLRP3KCNH2TNF
SCHEMBL31405061 0.77 IL1B (0.45) IL1BNLRP3TNF
SCHEMBL29042804 0.77 IL1B (0.51) IL1BNLRP3KCNH2TNF
SCHEMBL29042807 0.77 IL1B (0.51) IL1BNLRP3KCNH2TNF
SCHEMBL31405013 0.75 IL1B (0.37) IL1BTNF
SCHEMBL31405057 0.75 MAP4K4 (0.38) KCNH2
SCHEMBL31405103 0.74 SMN1; SMN2 (0.30) —

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 IL1B 1/4885NLRP3 2/4885KCNH2 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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