SCHEMBL31405079

SCHEMBL31405079

Cc1cc(CNC2CCOCC2)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 11/20 0.52
▸ TNF P01375 2/20 0.52
▸ NLRP3 Q96P20 7/20 0.50
▸ KCNH2 Q12809 1/20 0.45
▸ PIM1 P11309 2/20 0.35
▸ MDM2 Q00987 1/20 0.34
▸ OPRL1 P41146 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
SCHEMBL31405036 0.88 IL1B (0.48) IL1BTNFNLRP3KCNH2
SCHEMBL31405032 0.83 IL1B (0.41) IL1BTNFNLRP3KCNH2PIM1
SCHEMBL31405060 0.78 IL1B (0.51) IL1BTNFNLRP3KCNH2
SCHEMBL31405100 0.74 IL1B (0.34) IL1BTNFNLRP3KCNH2OPRL1
SCHEMBL31405022 0.73 IL1B (0.54) IL1BTNFNLRP3KCNH2
SCHEMBL31405020 0.73 IL1B (0.54) IL1BTNFNLRP3KCNH2
SCHEMBL31404988 0.72 IL1B (0.41) IL1BTNFNLRP3KCNH2
SCHEMBL31405098 0.72 IL1B (0.48) IL1BTNFNLRP3KCNH2
SCHEMBL26774185 0.71 IL1B (0.66) IL1BTNFNLRP3KCNH2
SCHEMBL26773357 0.71 IL1B (0.66) IL1BTNFNLRP3KCNH2

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 1/4885TNF 53/4885NLRP3 2/4885

“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.

Send feedback