SCHEMBL26856905

SCHEMBL26856905

Cc1cccc(C)c1-c1cc(Oc2ccc(NC3CCOC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.37
▸ IRAK4 Q9NWZ3 6/20 0.36
▸ IRAK1 P51617 2/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ PDE1B Q01064 2/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ SYK P43405 1/20 0.34
▸ P2RX3 P56373 1/20 0.33
▸ MET P08581 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ FGFR3 P22607 1/20 0.32
▸ SLC8A1 P32418 1/20 0.32
▸ MAPK14 Q16539 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
SCHEMBL26814643 0.90 MKNK1 (0.37) MKNK1IRAK4IRAK1HTR1AHTR7
SCHEMBL26857014 0.89 PTGS2 (0.37) HTR1AHTR7TTK
SCHEMBL26856630 0.88 BRD4 (0.38) HTR1AHTR7SLC8A1
SCHEMBL26856880 0.87 HTR1A (0.36) HTR1AHTR7
SCHEMBL26856925 0.86 HTR1A (0.34) IRAK1HTR1AHTR7SLC8A1
SCHEMBL26810065 0.85 JAK1 (0.37) IRAK4HTR1AHTR7METSLC8A1
SCHEMBL26857058 0.85 TSHR (0.36) HTR1AHTR7
SCHEMBL24310017 0.83 HTR1A (0.33) HTR1AHTR7METTTKSLC8A1
SCHEMBL26806559 0.83 IRAK4 (0.37) IRAK4HTR1AHTR7FGFR3
SCHEMBL26810238 0.83 SMN1; SMN2 (0.38) HTR1AHTR7MET

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 1 patent. 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

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 MKNK1 2413/4885IRAK4 1601/4885IRAK1 2877/4885

“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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