SCHEMBL26498536

SCHEMBL26498536

CC(C)c1cccc(N2CC3CC2CN3C)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.46
▸ NOTUM Q6P988 1/20 0.42
▸ CHRNA7 P36544 6/20 0.42
▸ RXRA P19793 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL14923977 0.81 KCNH2 (0.52) KCNH2CHRNA7HRH4
SCHEMBL13317189 0.79 PIK3CD (0.48) KCNH2CHRNA7
SCHEMBL19381894 0.77 CHRNA7 (0.58) KCNH2CHRNA7PARP1
SCHEMBL26235665 0.77 CHRNA7 (0.58) KCNH2CHRNA7PARP1
SCHEMBL26498531 0.77 NOTUM (0.51) KCNH2NOTUMRXRAGRIN1GRIN2B
SCHEMBL12461087 0.75 PIK3CD (0.54) KCNH2NOTUMCHRNA7
SCHEMBL25556995 0.73 KCNH2 (0.43) KCNH2CHRNA7JAK1
SCHEMBL25556993 0.72 KCNH2 (0.40) KCNH2CHRNA7JAK1JAK3
SCHEMBL25557074 0.72 KCNH2 (0.40) KCNH2CHRNA7JAK1JAK3
SCHEMBL21641736 0.71 KCNH2 (0.44) KCNH2CHRNA7PARP1

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-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BROADENBIO CO., LTD. (CN) 2023-10-12 — — 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-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF PDXK, CMPK1, GCK KCNH2 539/4885NOTUM 1891/4885CHRNA7 1772/4885

“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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