SCHEMBL24309738

SCHEMBL24309738

CCc1c(Oc2cncc(N3CCN(C)CC3)c2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTR1A P08908 4/20 0.33
▸ HTR7 P34969 4/20 0.33
▸ HTR6 P50406 4/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ BRPF1 P55201 1/20 0.32
▸ BRD9 Q9H8M2 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ APAF1 O14727 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ CYBB P04839 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ DCLK1 O15075 1/20 0.30

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
SCHEMBL29567005 1.00 BRD4 (0.34) BRD4ALDH1A1TP53GAAHPGD
SCHEMBL24309863 0.93 HTR2C (0.38) BRD4ALDH1A1TP53GAAHPGD
SCHEMBL29567148 0.93 HTR2C (0.38) BRD4ALDH1A1TP53GAAHPGD
SCHEMBL29567284 0.88 EGFR (0.34) BRD4DCLK1MAPK7LRRK2
SCHEMBL24310598 0.88 EGFR (0.34) BRD4DCLK1MAPK7LRRK2
SCHEMBL24309755 0.87 EGFR (0.34) BRD4DCLK1MAPK7LRRK2
SCHEMBL29567348 0.87 EGFR (0.34) BRD4DCLK1MAPK7LRRK2
SCHEMBL24310022 0.86 EGFR (0.35) BRD4HTR1AHTR7HTR6DRD2
SCHEMBL24309721 0.86 ALDH1A1 (0.32) BRD4ALDH1A1TP53GAAHPGD
SCHEMBL24310605 0.86 NMT1 (0.35) ALDH1A1TP53GAAHPGDHTR1A

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 BRD4 1716/4885ALDH1A1 3992/4885TP53 3197/4885

“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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