SCHEMBL24310783

SCHEMBL24310783

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2cccc(C3CCN(C)CC3)c2)c1C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.40
▸ HTR1A P08908 5/20 0.34
▸ HTR7 P34969 5/20 0.34
▸ SLC8A1 P32418 1/20 0.34
▸ DYRK1A Q13627 2/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PTK2 Q05397 3/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ CACNA2D1 P54289 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ HIPK1 Q86Z02 1/20 0.32
▸ HIPK2 Q9H2X6 1/20 0.32
▸ HIPK3 Q9H422 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ MAP4K1 Q92918 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
SCHEMBL29567070 1.00 SCN9A (0.40) SCN9AHTR1AHTR7SLC8A1DYRK1A
SCHEMBL24310224 0.92 SCN9A (0.40) SCN9AHTR1AHTR7SLC8A1DYRK1A
SCHEMBL29566986 0.92 SCN9A (0.40) SCN9AHTR1AHTR7SLC8A1DYRK1A
SCHEMBL24309541 0.92 HTR1A (0.34) SCN9AHTR1AHTR7SLC8A1PTK2
SCHEMBL29566839 0.92 DRD2 (0.37) SCN9AHTR1AHTR7SLC8A1
SCHEMBL24310782 0.92 DRD2 (0.37) SCN9AHTR1AHTR7SLC8A1
SCHEMBL29566590 0.92 SCN9A (0.35) SCN9AHTR1AHTR7SLC8A1JAK2
SCHEMBL24309520 0.92 SCN9A (0.35) SCN9AHTR1AHTR7SLC8A1JAK2
SCHEMBL24310541 0.91 SCN9A (0.36) SCN9AHTR1AHTR7SLC8A1JAK2
SCHEMBL29566894 0.91 SCN9A (0.36) SCN9AHTR1AHTR7SLC8A1JAK2

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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