SCHEMBL24310487

SCHEMBL24310487

CC(C)c1ccccc1-c1cc(Oc2ccc(C3CCN(C)CC3)cc2Cl)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.36
▸ HTR1A P08908 7/20 0.36
▸ HTR7 P34969 7/20 0.36
▸ EIF2AK3 Q9NZJ5 1/20 0.35
▸ DRD2 P14416 3/20 0.35
▸ HTR6 P50406 3/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ ADRA1D P25100 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ SCN8A Q9UQD0 4/20 0.34
▸ ALK Q9UM73 2/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ CDK2 P24941 1/20 0.33

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
SCHEMBL29566648 1.00 EGFR (0.36) EGFRHTR1AHTR7EIF2AK3DRD2
SCHEMBL29566631 0.94 EGFR (0.38) EGFRHTR1AHTR7EIF2AK3DRD2
SCHEMBL26806663 0.94 EGFR (0.38) EGFRHTR1AHTR7EIF2AK3DRD2
SCHEMBL29566737 0.89 HTR1A (0.35) HTR1AHTR7DRD2HTR6SCN9A
SCHEMBL24309248 0.89 HTR1A (0.35) HTR1AHTR7DRD2HTR6SCN9A
SCHEMBL29566441 0.88 HTR1A (0.38) HTR1AHTR7EIF2AK3DRD2HTR6
SCHEMBL24309259 0.88 HTR1A (0.38) HTR1AHTR7EIF2AK3DRD2HTR6
SCHEMBL24309465 0.88 HTR6 (0.39) EGFRHTR1AHTR7HTR6HTR2A
SCHEMBL29567849 0.88 HTR6 (0.39) EGFRHTR1AHTR7HTR6HTR2A
SCHEMBL24309747 0.87 HTR1A (0.37) HTR1AHTR7DRD2HTR6SCN9A

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 EGFR 818/4885HTR1A 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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