SCHEMBL24310107

SCHEMBL24310107

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2cccc(C3CCN(C)CC3)c2F)c1C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.36
▸ HTR7 P34969 7/20 0.36
▸ SCN9A Q15858 3/20 0.35
▸ DRD2 P14416 3/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ HTR1F P30939 1/20 0.32
▸ PCK1 P35558 1/20 0.32
▸ HTR2A P28223 3/20 0.31
▸ PTK2 Q05397 3/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ HTR2B P41595 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ INSR P06213 1/20 0.30
▸ MET P08581 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
SCHEMBL29566869 1.00 HTR1A (0.36) HTR1AHTR7SCN9ADRD2HTR6
SCHEMBL24310541 0.89 SCN9A (0.36) HTR1AHTR7SCN9AHTR6PCK1
SCHEMBL29566894 0.89 SCN9A (0.36) HTR1AHTR7SCN9AHTR6PCK1
SCHEMBL29566773 0.88 SCN9A (0.34) HTR1AHTR7SCN9AHTR6HTR1F
SCHEMBL24309558 0.88 SCN9A (0.34) HTR1AHTR7SCN9AHTR6HTR1F
SCHEMBL24309559 0.88 SCN9A (0.36) HTR1AHTR7SCN9APCK1PTK2
SCHEMBL29567274 0.88 SCN9A (0.36) HTR1AHTR7SCN9APCK1PTK2
SCHEMBL24310731 0.88 HTR1A (0.37) HTR1AHTR7SCN9ADRD2HTR6
SCHEMBL24310520 0.88 HTR1A (0.34) HTR1AHTR7SCN9ADRD2HTR6
SCHEMBL29567870 0.88 HTR1A (0.37) HTR1AHTR7SCN9ADRD2HTR6

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 HTR1A 4018/4885HTR7 3833/4885SCN9A 385/4885

“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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