SCHEMBL26565478

SCHEMBL26565478

CCc1cc(C(O)c2ccc3ccnc(-c4cccc(O[Si](C(C)C)(C(C)C)C(C)C)c4)c3c2)ccc1Br

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.32
KCNA5 P22460 2/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL26565476 0.86 NTRK1 (0.34) NTRK1KCNA5
SCHEMBL26565413 0.82 KDM4E (0.35)
SCHEMBL26565466 0.82 CCNC (0.37)
SCHEMBL26565498 0.77 RORC (0.40)
SCHEMBL26565543 0.77 DGAT2 (0.33)
SCHEMBL26565412 0.68 ALDH1A1 (0.35)
SCHEMBL26565190 0.68 LTB4R (0.36)
SCHEMBL26565276 0.67 LTB4R (0.36)
SCHEMBL26565468 0.66 SLC22A12 (0.41)
SCHEMBL26828500 0.62 MAPK14 (0.38) PLGPLAU

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-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same KURA ONCOLOGY, INC. (US) 2024-06-25 US disclosed
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME WUXI APPTEC (HONG KONG) LIMITED (CN) 2023-10-12 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 (2 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-12018011-B2 Macrocyclic compounds and compositions, and methods of preparing and using the same FNTA, FDPS, GGPS1 NTRK1 4779/4885KCNA5 4437/4885PLG 3091/4885
US-20230322711-A1 MACROCYCLIC COMPOUNDS AND COMPOSITIONS, AND METHODS OF PREPARING AND USING THE SAME FNTA, FDPS, GGPS1 NTRK1 4779/4885KCNA5 4437/4885PLG 3091/4885

“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.