SCHEMBL31405100

SCHEMBL31405100

Cc1cc(-c2ccc(CNC3CCOCC3)nn2)c(O)cc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 11/20 0.34
▸ TNF P01375 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ NLRP3 Q96P20 4/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL31405112 0.84 PDCD1 (0.33) OPRL1GRM2PDCD1CD274CNR2
SCHEMBL31405094 0.82 RAF1 (0.34) MAP4K4RAF1PDCD1CD274P2RX3
SCHEMBL31405032 0.82 IL1B (0.41) IL1BTNFGRM2NLRP3KCNH2
SCHEMBL31405060 0.82 IL1B (0.51) IL1BTNFNLRP3KCNH2
SCHEMBL31405098 0.80 IL1B (0.48) IL1BTNFNLRP3KCNH2
SCHEMBL31405089 0.77 OPRL1 (0.39) IL1BTNFOPRL1MAP4K4NLRP3
SCHEMBL31404970 0.76 CNR2 (0.39) IL1BOPRL1NLRP3CNR2
SCHEMBL31405022 0.76 IL1B (0.54) IL1BTNFNLRP3KCNH2
SCHEMBL31405104 0.76 IL1B (0.41) IL1BTNFNLRP3KCNH2
SCHEMBL31404988 0.76 IL1B (0.41) 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 53/4885OPRL1 3791/4885

“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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