SCHEMBL24310598

SCHEMBL24310598

CCc1c(Oc2cc(N3CCN(C)CC3)cc(Cl)c2Cl)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.34
▸ BRD4 O60885 3/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ DCLK1 O15075 1/20 0.32
▸ MAPK7 Q13164 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ MAP3K7 O43318 1/20 0.32
▸ MAP2K1 Q02750 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
SCHEMBL29567284 1.00 EGFR (0.34) EGFRBRD4ALKDCLK1MAPK7
SCHEMBL24309755 0.94 EGFR (0.34) EGFRBRD4ALKDCLK1MAPK7
SCHEMBL29567348 0.94 EGFR (0.34) EGFRBRD4ALKDCLK1MAPK7
SCHEMBL24309528 0.88 HTR1A (0.37) EGFRBRD4
SCHEMBL29567005 0.88 BRD4 (0.34) BRD4DCLK1MAPK7LRRK2
SCHEMBL29567148 0.88 HTR2C (0.38) EGFRBRD4
SCHEMBL24309863 0.88 HTR2C (0.38) EGFRBRD4
SCHEMBL24309738 0.88 BRD4 (0.34) BRD4DCLK1MAPK7LRRK2
SCHEMBL24310358 0.84 BRD9 (0.36) EGFRBRD4
SCHEMBL29566939 0.84 BRD9 (0.36) EGFRBRD4

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 EGFR 818/4885BRD4 1716/4885ALK 2616/4885

“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.

Send feedback