SCHEMBL26808701

SCHEMBL26808701

CNC(=O)c1ccc(Oc2nc(NS(=O)(=O)c3cnn(C)c3)nc(-c3ccccc3C)c2OC)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.36
▸ BTK Q06187 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PTK2 Q05397 2/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ FGFR1 P11362 3/20 0.33
▸ FGFR3 P22607 2/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ JAK1 P23458 4/20 0.33
▸ JAK2 O60674 3/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ FLT3 P36888 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
SCHEMBL24309774 0.92 HTR1A (0.34) PDE10ABTKTDP1PTK2HTR1A
SCHEMBL29566573 0.92 HTR1A (0.34) PDE10ABTKTDP1PTK2HTR1A
SCHEMBL26811495 0.90 PARP1 (0.34) PDE10ABTKTDP1PTK2HTR1A
SCHEMBL29566871 0.85 HTR1A (0.39) TDP1HTR1AHTR7FGFR1KMT2A
SCHEMBL24309384 0.85 HTR1A (0.39) TDP1HTR1AHTR7FGFR1KMT2A
SCHEMBL29567189 0.83 HTR1A (0.42) TDP1HTR1AHTR7KMT2APDGFRB
SCHEMBL24309396 0.83 HTR1A (0.42) TDP1HTR1AHTR7KMT2APDGFRB
SCHEMBL24309822 0.82 FGFR1 (0.39) PDE10ATDP1HTR1AHTR7FGFR1
SCHEMBL29567325 0.82 FGFR1 (0.39) PDE10ATDP1HTR1AHTR7FGFR1
SCHEMBL26808704 0.81 RAD52 (0.39) PDE10AJAK1JAK2KMT2AEGFR

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 2 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

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 PDE10A 210/4885BTK 1113/4885TDP1 4534/4885

“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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