SCHEMBL26811507

SCHEMBL26811507

CCc1c(OC2CCCN(C(=O)OC(C)(C)C)C2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 17/20 0.44
▸ IRAK1 P51617 1/20 0.38
▸ TGFBR1 P36897 1/20 0.37
▸ BRD4 O60885 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
SCHEMBL26811486 0.85 HTR1A (0.37) BRD4
SCHEMBL26806554 0.79 IRAK1 (0.41) PIK3CDIRAK1TGFBR1BRD4
SCHEMBL29566902 0.76 HTR1A (0.40) PIK3CD
SCHEMBL24309497 0.76 HTR1A (0.40) PIK3CD
SCHEMBL29567143 0.76 HTR1A (0.39) BRD4
SCHEMBL24310419 0.76 HTR1A (0.39) BRD4
SCHEMBL29566856 0.76 HTR1A (0.41) PIK3CD
SCHEMBL24310357 0.76 HTR1A (0.41) PIK3CD
SCHEMBL26811485 0.76 PIK3CG (0.39) PIK3CD
SCHEMBL26811501 0.75 HTR1A (0.39) PIK3CD

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 PIK3CD 368/4885IRAK1 2877/4885TGFBR1 554/4885

“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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