SCHEMBL24309867

SCHEMBL24309867

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)cc2F)c1C(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.37
▸ HTR1A P08908 3/20 0.35
▸ HTR7 P34969 3/20 0.35
▸ PCK1 P35558 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ MAPK7 Q13164 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ SLC8A1 P32418 1/20 0.32
▸ TNK2 Q07912 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ LRRK2 Q5S007 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
SCHEMBL29566854 1.00 SCN9A (0.37) SCN9AHTR1AHTR7PCK1BRD4
SCHEMBL29566912 0.91 HTR1A (0.35) SCN9AHTR1AHTR7PCK1BRD4
SCHEMBL26808948 0.91 HTR1A (0.35) SCN9AHTR1AHTR7PCK1BRD4
SCHEMBL29567274 0.88 SCN9A (0.36) SCN9AHTR1AHTR7PCK1BRD4
SCHEMBL24309559 0.88 SCN9A (0.36) SCN9AHTR1AHTR7PCK1BRD4
SCHEMBL29567870 0.87 HTR1A (0.37) SCN9AHTR1AHTR7PCK1BRD4
SCHEMBL24310731 0.87 HTR1A (0.37) SCN9AHTR1AHTR7PCK1BRD4
SCHEMBL24309548 0.84 SCN9A (0.34) SCN9AHTR1AHTR7PCK1BRD4
SCHEMBL29566769 0.84 SCN9A (0.34) SCN9AHTR1AHTR7PCK1BRD4
SCHEMBL26808698 0.84 HTR1A (0.36) SCN9AHTR1AHTR7PCK1BRD4

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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