SCHEMBL24309701

SCHEMBL24309701

Cc1cccc(C)c1-c1cc(Oc2ccc(N3CCN(C)CC3)c(C#N)c2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ BRD3 Q15059 1/20 0.36
▸ BRDT Q58F21 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ MAP4K1 Q92918 2/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ PAK1 Q13153 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ SCN9A Q15858 1/20 0.34

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
SCHEMBL24309786 0.90 DGAT2 (0.40) HTR6BRD4JAK2JAK3ALDH1A1
SCHEMBL26809817 0.88 HTR1D (0.37) HTR6BRD4ALDH1A1USP2MAP4K1
SCHEMBL29566991 0.88 HTR1D (0.37) HTR6BRD4ALDH1A1USP2MAP4K1
SCHEMBL29567245 0.87 BRD4 (0.42) BRD4SLC2A1
SCHEMBL26808191 0.87 BRD4 (0.42) BRD4SLC2A1
SCHEMBL24310343 0.86 MAP4K1 (0.43) HTR6BRD4JAK2JAK3JAK1
SCHEMBL29567227 0.86 MAP4K1 (0.43) HTR6BRD4JAK2JAK3JAK1
SCHEMBL24310014 0.86 HTR1A (0.42) HTR6BRD4JAK2JAK3MAP4K1
SCHEMBL24309675 0.85 MAP4K1 (0.37) HTR6BRD4ALDH1A1TSHRMAP4K1
SCHEMBL26809807 0.84 HTR6 (0.35) HTR6BRD4ALDH1A1KDM4EHTR1A

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 2653/4885BRD4 1716/4885JAK2 3498/4885

“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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