SCHEMBL26811591

SCHEMBL26811591

CCc1c(Oc2cccc(N3CCN(C)CC3)c2Cl)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 7/20 0.38
▸ EGFR P00533 5/20 0.37
▸ DRD2 P14416 3/20 0.36
▸ HTR1A P08908 3/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ MCOLN2 Q8IZK6 1/20 0.36
▸ MCOLN3 Q8TDD5 1/20 0.36
▸ MCOLN1 Q9GZU1 1/20 0.36
▸ ADRA2A P08913 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ BRPF1 P55201 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34

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
SCHEMBL24310048 0.93 HTR1A (0.38) HTR6EGFRDRD2HTR1ADRD4
SCHEMBL29566746 0.93 HTR1A (0.38) HTR6EGFRDRD2HTR1ADRD4
SCHEMBL29567132 0.93 HTR1A (0.36) HTR6EGFRDRD2HTR1ADRD4
SCHEMBL24310080 0.93 HTR1A (0.36) HTR6EGFRDRD2HTR1ADRD4
SCHEMBL26811416 0.92 EGFR (0.38) HTR6EGFRDRD2HTR1ADRD4
SCHEMBL26811542 0.92 ALK (0.37) HTR6EGFRDRD2HTR1ADRD4
SCHEMBL29566917 0.91 HTR1A (0.38) HTR6EGFRDRD2HTR1ADRD4
SCHEMBL24310061 0.91 HTR1A (0.38) HTR6EGFRDRD2HTR1ADRD4
SCHEMBL29566861 0.91 HTR1A (0.36) HTR6EGFRDRD2HTR1ADRD4
SCHEMBL26811393 0.91 HTR1A (0.36) HTR6EGFRDRD2HTR1ADRD4

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 HTR6 2653/4885EGFR 818/4885DRD2 4505/4885

“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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