SCHEMBL24309871

SCHEMBL24309871

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)cc2)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.36
▸ GPR119 Q8TDV5 10/20 0.35
▸ HTR1A P08908 3/20 0.35
▸ HTR7 P34969 3/20 0.35
▸ SLC8A1 P32418 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ JAK2 O60674 3/20 0.32
▸ JAK3 P52333 3/20 0.32
▸ PTK2 Q05397 3/20 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
SCHEMBL29566849 1.00 SCN9A (0.36) SCN9AGPR119HTR1AHTR7SLC8A1
SCHEMBL24309783 0.90 HTR1A (0.37) SCN9AHTR1AHTR7SLC8A1BRD4
SCHEMBL29567061 0.90 HTR1A (0.37) SCN9AHTR1AHTR7SLC8A1BRD4
SCHEMBL29566432 0.89 HTR1A (0.36) SCN9AHTR1AHTR7SLC8A1BRD4
SCHEMBL24310732 0.89 HTR1A (0.36) SCN9AHTR1AHTR7SLC8A1BRD4
SCHEMBL29566959 0.89 HTR1A (0.36) SCN9AHTR1AHTR7SLC8A1BRD4
SCHEMBL24309924 0.89 HTR1A (0.36) SCN9AHTR1AHTR7SLC8A1BRD4
SCHEMBL24309436 0.89 HTR1A (0.36) SCN9AHTR1AHTR7SLC8A1BRD4
SCHEMBL26808714 0.89 HTR1A (0.36) SCN9AHTR1AHTR7SLC8A1BRD4
SCHEMBL24309388 0.88 JAK2 (0.38) GPR119BRD4JAK2JAK3

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 385/4885GPR119 612/4885HTR1A 4018/4885

“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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