SCHEMBL24310415

SCHEMBL24310415

CC(C)c1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)cc2)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 8/20 0.39
▸ HTR7 P34969 8/20 0.39
▸ DRD2 P14416 3/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ HTR2A P28223 2/20 0.36
▸ USP1 O94782 1/20 0.32
▸ WDR48 Q8TAF3 1/20 0.32
▸ SLC8A1 P32418 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PTK2 Q05397 3/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCND1 P24385 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
SCHEMBL29566359 1.00 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309772 0.91 HTR1A (0.35) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808596 0.91 HTR1A (0.36) HTR1AHTR7SLC8A1BRAFKDR
SCHEMBL24310411 0.90 PTK2 (0.34) HTR1AHTR7DRD2HTR6SLC8A1
SCHEMBL29566844 0.90 PTK2 (0.34) HTR1AHTR7DRD2HTR6SLC8A1
SCHEMBL26808613 0.90 ALK (0.38) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309452 0.90 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808605 0.90 HTR1A (0.34) HTR1AHTR7SLC8A1BRAFKDR
SCHEMBL26808566 0.90 SCN9A (0.36) HTR1AHTR7HTR6SLC8A1BRAF
SCHEMBL29568105 0.89 PTK2 (0.34) HTR1AHTR7DRD2HTR6SLC8A1

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 3833/4885DRD2 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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