SCHEMBL26809807

SCHEMBL26809807

Cc1cccc(C)c1-c1cc(Oc2ccc(OC(F)(F)F)c(N3CCN(C)CC3)c2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 11/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ PLK1 P53350 3/20 0.34
▸ ALPL P05186 1/20 0.34
▸ FGFR4 P22455 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR1E P28566 1/20 0.33
▸ HTR1F P30939 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ DRD3 P35462 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
SCHEMBL29567245 0.88 BRD4 (0.42) BRD4
SCHEMBL26808191 0.88 BRD4 (0.42) BRD4
SCHEMBL26651248 0.88 PLK1 (0.40) BRD4PLK1FGFR4TNK2
SCHEMBL29566886 0.88 PLK1 (0.40) BRD4PLK1FGFR4TNK2
SCHEMBL26809817 0.87 HTR1D (0.37) HTR6BRD4HTR1ADRD2HTR1D
SCHEMBL29566991 0.87 HTR1D (0.37) HTR6BRD4HTR1ADRD2HTR1D
SCHEMBL24309786 0.86 DGAT2 (0.40) HTR6BRD4ALDH1A1
SCHEMBL24310427 0.85 PLK1 (0.33) PLK1
SCHEMBL24310014 0.85 HTR1A (0.42) HTR6BRD4HTR1AHTR2AHTR2C
SCHEMBL24310343 0.85 MAP4K1 (0.43) HTR6BRD4HTR1AHTR2AHTR2C

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 4 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

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 HTR6 2653/4885BRD4 1716/4885PLK1 3251/4885

“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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