SCHEMBL26809802

SCHEMBL26809802

Cc1cccc(C)c1-c1cc(Oc2cc(N3CCN(C)CC3)ccc2Cl)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ RAD52 P43351 2/20 0.39
▸ MAP4K1 Q92918 1/20 0.39
▸ EGFR P00533 3/20 0.38
▸ TNK2 Q07912 2/20 0.38
▸ PTK2 Q05397 2/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HTR6 P50406 1/20 0.36

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
SCHEMBL29566942 1.00 BRD4 (0.40) BRD4IRAK4RAD52MAP4K1EGFR
SCHEMBL29566947 0.92 BRD4 (0.37) BRD4IRAK4RAD52MAP4K1EGFR
SCHEMBL24309442 0.92 BRD4 (0.37) BRD4IRAK4RAD52MAP4K1EGFR
SCHEMBL24310005 0.92 BRD4 (0.37) BRD4IRAK4RAD52MAP4K1EGFR
SCHEMBL29567224 0.92 BRD4 (0.37) BRD4IRAK4RAD52MAP4K1EGFR
SCHEMBL24309946 0.88 MAP4K1 (0.38) BRD4IRAK4RAD52MAP4K1TNK2
SCHEMBL29566886 0.88 PLK1 (0.40) BRD4IRAK4RAD52MAP4K1TNK2
SCHEMBL26651248 0.88 PLK1 (0.40) BRD4IRAK4RAD52MAP4K1TNK2
SCHEMBL24310014 0.88 HTR1A (0.42) BRD4IRAK4RAD52MAP4K1TNK2
SCHEMBL24310343 0.88 MAP4K1 (0.43) BRD4RAD52MAP4K1PTK2HTR1A

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 2 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

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 1716/4885IRAK4 1601/4885RAD52 4705/4885

“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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