SCHEMBL26811478

SCHEMBL26811478

CCc1c(Oc2ccc(C3CCN(C)CC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.36
▸ HTR7 P34969 5/20 0.36
▸ SLC8A1 P32418 1/20 0.34
▸ BRD4 O60885 3/20 0.33
▸ JAK2 O60674 5/20 0.33
▸ JAK3 P52333 4/20 0.33
▸ PTK2 Q05397 4/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ MAP4K1 Q92918 2/20 0.32
▸ MAP4K3 Q8IVH8 1/20 0.32
▸ PCK1 P35558 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ EGFR P00533 1/20 0.31

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
SCHEMBL24310801 0.94 HTR1A (0.35) HTR1AHTR7SLC8A1BRD4JAK2
SCHEMBL29566967 0.94 HTR1A (0.35) HTR1AHTR7SLC8A1BRD4JAK2
SCHEMBL29567061 0.92 HTR1A (0.37) HTR1AHTR7SLC8A1BRD4JAK2
SCHEMBL24309783 0.92 HTR1A (0.37) HTR1AHTR7SLC8A1BRD4JAK2
SCHEMBL29567168 0.91 BRD4 (0.35) HTR1AHTR7SLC8A1BRD4JAK2
SCHEMBL24310081 0.91 BRD4 (0.35) HTR1AHTR7SLC8A1BRD4JAK2
SCHEMBL24309436 0.90 HTR1A (0.36) HTR1AHTR7SLC8A1BRD4JAK2
SCHEMBL29566959 0.90 HTR1A (0.36) HTR1AHTR7SLC8A1BRD4JAK2
SCHEMBL24310732 0.90 HTR1A (0.36) HTR1AHTR7SLC8A1BRD4JAK2
SCHEMBL24309924 0.90 HTR1A (0.36) HTR1AHTR7SLC8A1BRD4JAK2

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 HTR1A 4018/4885HTR7 3833/4885SLC8A1 201/4885

“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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