SCHEMBL24310732

SCHEMBL24310732

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)cc2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.36
▸ HTR7 P34969 5/20 0.36
▸ BRD4 O60885 3/20 0.34
▸ EGFR P00533 2/20 0.34
▸ SLC8A1 P32418 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ PTK2 Q05397 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ MAP4K1 Q92918 2/20 0.32
▸ MAP4K3 Q8IVH8 1/20 0.32
▸ PCK1 P35558 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ SCN9A Q15858 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
SCHEMBL29566959 1.00 HTR1A (0.36) HTR1AHTR7BRD4EGFRSLC8A1
SCHEMBL24309783 0.92 HTR1A (0.37) HTR1AHTR7BRD4EGFRSLC8A1
SCHEMBL29567061 0.92 HTR1A (0.37) HTR1AHTR7BRD4EGFRSLC8A1
SCHEMBL26808714 0.91 HTR1A (0.36) HTR1AHTR7BRD4EGFRSLC8A1
SCHEMBL24309924 0.91 HTR1A (0.36) HTR1AHTR7BRD4SLC8A1JAK2
SCHEMBL29566432 0.91 HTR1A (0.36) HTR1AHTR7BRD4SLC8A1JAK2
SCHEMBL24309436 0.91 HTR1A (0.36) HTR1AHTR7BRD4SLC8A1JAK2
SCHEMBL26811478 0.90 HTR1A (0.36) HTR1AHTR7BRD4EGFRSLC8A1
SCHEMBL29566898 0.89 HTR1A (0.36) HTR1AHTR7BRD4SLC8A1JAK2
SCHEMBL24310811 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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