SCHEMBL24310605

SCHEMBL24310605

CCc1c(Oc2ccc(CN3CCN(C)CC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 2/20 0.35
▸ BDKRB1 P46663 1/20 0.34
▸ AXL P30530 7/20 0.34
▸ PIK3CG P48736 3/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ MERTK Q12866 3/20 0.33
▸ HTR1A P08908 3/20 0.32
▸ HTR7 P34969 3/20 0.32
▸ MET P08581 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ DRD2 P14416 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
SCHEMBL29566526 1.00 NMT1 (0.35) NMT1BDKRB1AXLPIK3CGFGFR4
SCHEMBL24310616 0.87 HTR1A (0.34) NMT1HTR1AHTR7JAK2JAK3
SCHEMBL29567020 0.87 HTR1A (0.34) NMT1HTR1AHTR7JAK2JAK3
SCHEMBL29567148 0.86 HTR2C (0.38) HTR1AHTR7JAK2JAK3PTK2
SCHEMBL24309738 0.86 BRD4 (0.34) HTR1AHTR7JAK2ALDH1A1TP53
SCHEMBL29567005 0.86 BRD4 (0.34) HTR1AHTR7JAK2ALDH1A1TP53
SCHEMBL24309863 0.86 HTR2C (0.38) HTR1AHTR7JAK2JAK3PTK2
SCHEMBL24310022 0.84 EGFR (0.35) HTR1AHTR7JAK3EGFRDRD2
SCHEMBL26811513 0.84 AURKA (0.36) AURKAAURKBHTR1AHTR7TP53
SCHEMBL24309890 0.84 HTR1A (0.32) HTR1AHTR7DRD2HTR6

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 NMT1 266/4885BDKRB1 1554/4885AXL 4548/4885

“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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