SCHEMBL24310811

SCHEMBL24310811

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)cc2)c1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.36
▸ HTR7 P34969 6/20 0.36
▸ BRD4 O60885 4/20 0.36
▸ SLC8A1 P32418 1/20 0.35
▸ JAK2 O60674 5/20 0.33
▸ JAK3 P52333 4/20 0.33
▸ PTK2 Q05397 4/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ DRD2 P14416 2/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ MAP4K3 Q8IVH8 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ PCK1 P35558 1/20 0.31
▸ SCN9A Q15858 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
SCHEMBL29566898 1.00 HTR1A (0.36) HTR1AHTR7BRD4SLC8A1JAK2
SCHEMBL29567305 0.94 BRD4 (0.35) HTR1AHTR7BRD4SLC8A1JAK2
SCHEMBL26812416 0.94 BRD4 (0.35) HTR1AHTR7BRD4SLC8A1JAK2
SCHEMBL24309772 0.93 HTR1A (0.35) HTR1AHTR7BRD4SLC8A1JAK2
SCHEMBL24310224 0.92 SCN9A (0.40) HTR1AHTR7BRD4SLC8A1JAK2
SCHEMBL24309541 0.92 HTR1A (0.34) HTR1AHTR7BRD4SLC8A1JAK2
SCHEMBL29566986 0.92 SCN9A (0.40) HTR1AHTR7BRD4SLC8A1JAK2
SCHEMBL29567061 0.91 HTR1A (0.37) HTR1AHTR7BRD4SLC8A1JAK2
SCHEMBL24309783 0.91 HTR1A (0.37) HTR1AHTR7BRD4SLC8A1JAK2
SCHEMBL24309436 0.89 HTR1A (0.36) HTR1AHTR7BRD4SLC8A1JAK2

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 HTR1A 4018/4885HTR7 3833/4885BRD4 1716/4885

“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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