SCHEMBL24310034

SCHEMBL24310034

Cc1cccc(C)c1-c1cc(Oc2ccc(F)c(C3CCN(C)CC3)c2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.37
▸ JAK2 O60674 2/20 0.36
▸ SCN9A Q15858 3/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ PCK1 P35558 1/20 0.34
▸ SLC8A1 P32418 1/20 0.34
▸ HTR1F P30939 1/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ HTR1A P08908 3/20 0.33
▸ HTR7 P34969 3/20 0.33
▸ ASAH1 Q13510 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ ACVR1 Q04771 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
SCHEMBL24310170 0.88 BRD4 (0.38) JAK2SCN9ABRD4SLC8A1HTR1A
SCHEMBL24309447 0.88 SCN9A (0.43) JAK2SCN9ABRD4SLC8A1HTR1A
SCHEMBL26806490 0.87 HTR1A (0.35) HTR6SCN9ABRD4PCK1SLC8A1
SCHEMBL24309967 0.86 SCN9A (0.38) JAK2SCN9ABRD4PCK1HTR1A
SCHEMBL29566686 0.86 SCN9A (0.38) JAK2SCN9ABRD4PCK1HTR1A
SCHEMBL26856630 0.84 BRD4 (0.38) HTR6BRD4SLC8A1HTR1AHTR7
SCHEMBL26810218 0.82 KMT2A (0.40) —
SCHEMBL26806489 0.82 CCNA2 (0.42) HTR6BRD4HTR1AHTR7
SCHEMBL26812289 0.82 TSHR (0.34) HTR6BRD4SLC8A1SLC6A9HTR1A
SCHEMBL29567227 0.82 MAP4K1 (0.43) HTR6JAK2BRD4HTR1AHTR7

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 5 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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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 HTR6 2653/4885JAK2 3498/4885SCN9A 385/4885

“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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