SCHEMBL29566628

SCHEMBL29566628

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(OCCC(C)(C)O)c1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 11/20 0.40
▸ PIK3CD O00329 7/20 0.40
▸ PIK3CB P42338 6/20 0.40
▸ HTR1A P08908 7/20 0.39
▸ HTR7 P34969 7/20 0.39
▸ PIK3CA P42336 7/20 0.38
▸ MTOR P42345 5/20 0.35
▸ PIK3C3 Q8NEB9 2/20 0.35
▸ DRD2 P14416 2/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ HTR2A P28223 1/20 0.32
▸ BRAF P15056 1/20 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
SCHEMBL26808816 1.00 PIK3CG (0.40) PIK3CGPIK3CDPIK3CBHTR1AHTR7
SCHEMBL26811485 0.91 PIK3CG (0.39) PIK3CGPIK3CDPIK3CBHTR1AHTR7
SCHEMBL24309827 0.83 HTR1A (0.43) PIK3CGPIK3CDPIK3CBHTR1AHTR7
SCHEMBL29566900 0.83 HTR1A (0.43) PIK3CGPIK3CDPIK3CBHTR1AHTR7
SCHEMBL29567228 0.82 HTR1A (0.40) PIK3CGPIK3CDPIK3CBHTR1AHTR7
SCHEMBL24309861 0.82 HTR1A (0.40) PIK3CGPIK3CDPIK3CBHTR1AHTR7
SCHEMBL24309799 0.82 CYP2C9 (0.32) PIK3CGPIK3CDPIK3CB
SCHEMBL24310419 0.79 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29567143 0.79 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309774 0.79 HTR1A (0.34) PIK3CGPIK3CDPIK3CBHTR1AHTR7

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
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 PIK3CG 533/4885PIK3CD 368/4885PIK3CB 655/4885

“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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