SCHEMBL24309541

SCHEMBL24309541

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.34
▸ HTR7 P34969 5/20 0.34
▸ BRD4 O60885 4/20 0.33
▸ SLC8A1 P32418 1/20 0.32
▸ PTK2 Q05397 4/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ PCK1 P35558 1/20 0.32
▸ SCN9A Q15858 2/20 0.31
▸ BRAF P15056 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ MAP4K1 Q92918 2/20 0.31
▸ FLT4 P35916 1/20 0.30
▸ MAP4K3 Q8IVH8 1/20 0.30

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
SCHEMBL24309772 0.94 HTR1A (0.35) HTR1AHTR7BRD4SLC8A1PTK2
SCHEMBL29567305 0.94 BRD4 (0.35) HTR1AHTR7BRD4SLC8A1PTK2
SCHEMBL26812416 0.94 BRD4 (0.35) HTR1AHTR7BRD4SLC8A1PTK2
SCHEMBL24310783 0.92 SCN9A (0.40) HTR1AHTR7BRD4SLC8A1PTK2
SCHEMBL29567070 0.92 SCN9A (0.40) HTR1AHTR7BRD4SLC8A1PTK2
SCHEMBL26811978 0.92 BRD4 (0.35) HTR1AHTR7BRD4SLC8A1PTK2
SCHEMBL24310811 0.92 HTR1A (0.36) HTR1AHTR7BRD4SLC8A1PTK2
SCHEMBL29566898 0.92 HTR1A (0.36) HTR1AHTR7BRD4SLC8A1PTK2
SCHEMBL29567193 0.92 GHSR (0.34) HTR1AHTR7PTK2PCK1DRD2
SCHEMBL24310165 0.92 GHSR (0.34) HTR1AHTR7PTK2PCK1DRD2

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 5 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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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 HTR1A 4018/4885HTR7 3833/4885BRD4 1716/4885

“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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