SCHEMBL31405112

SCHEMBL31405112

Cc1c(C(F)(F)F)ccc(-c2ccc(CNC3CCOCC3)nn2)c1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 2/20 0.33
▸ CD274 Q9NZQ7 2/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ PIK3CB P42338 5/20 0.32
▸ PIK3CD O00329 3/20 0.32
▸ PIK3CG P48736 3/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ P2RX3 P56373 2/20 0.31
▸ P2RX2 Q9UBL9 2/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ EPHX2 P34913 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ IDH2 P48735 1/20 0.30

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
SCHEMBL31405100 0.84 IL1B (0.34) PDCD1CD274CNR2GRM2P2RX3
SCHEMBL31405032 0.80 IL1B (0.41) GRM2KCNH2
SCHEMBL31405098 0.76 IL1B (0.48) KCNH2
SCHEMBL31405060 0.76 IL1B (0.51) KCNH2
SCHEMBL31404970 0.74 CNR2 (0.39) CNR2EPHX2OPRL1
SCHEMBL31405094 0.73 RAF1 (0.34) PDCD1CD274P2RX3P2RX2KCNH2
SCHEMBL31404988 0.71 IL1B (0.41) KCNH2
SCHEMBL31405089 0.71 OPRL1 (0.39) KCNH2OPRL1
SCHEMBL31405090 0.71 IL1B (0.54) KCNH2
SCHEMBL31405079 0.70 IL1B (0.52) KCNH2OPRL1

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 PDCD1 371/4885CD274 821/4885CNR2 2248/4885

“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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