SCHEMBL24310341

SCHEMBL24310341

CCc1c(Oc2cccc(C3CCN(C)CC3)c2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.38
▸ HTR1A P08908 6/20 0.35
▸ HTR7 P34969 6/20 0.35
▸ SLC8A1 P32418 1/20 0.34
▸ CACNA2D1 P54289 1/20 0.33
▸ DYRK1A Q13627 2/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ PTK2 Q05397 2/20 0.32
▸ NMT1 P30419 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ HIPK1 Q86Z02 1/20 0.31
▸ HIPK2 Q9H2X6 1/20 0.31

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
SCHEMBL29566911 1.00 SCN9A (0.38) SCN9AHTR1AHTR7SLC8A1CACNA2D1
SCHEMBL24310616 0.92 HTR1A (0.34) HTR1AHTR7SLC8A1DRD2HTR6
SCHEMBL29567020 0.92 HTR1A (0.34) HTR1AHTR7SLC8A1DRD2HTR6
SCHEMBL29566360 0.89 HTR1A (0.33) SCN9AHTR1AHTR7DYRK1ADRD2
SCHEMBL24309314 0.89 HTR1A (0.33) SCN9AHTR1AHTR7DYRK1ADRD2
SCHEMBL24309712 0.89 PCK1 (0.32) SCN9AHTR1AHTR7SLC8A1DRD2
SCHEMBL29567065 0.89 PCK1 (0.32) SCN9AHTR1AHTR7SLC8A1DRD2
SCHEMBL24309863 0.88 HTR2C (0.38) HTR1AHTR7HTR6JAK2JAK3
SCHEMBL29567148 0.88 HTR2C (0.38) HTR1AHTR7HTR6JAK2JAK3
SCHEMBL24310344 0.86 DYRK1A (0.32) CACNA2D1DYRK1ADRD2GSK3BCLK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B SCN9A 385/4885HTR1A 4018/4885HTR7 3833/4885

“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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