SCHEMBL23535744

SCHEMBL23535744

C[Si](C)(C)CCOCn1c(C=O)cc2cnc(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.33
F11 P03951 1/20 0.33
DGAT1 O75907 2/20 0.32
BRD4 O60885 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
SCHEMBL29776523 1.00 CCR9 (0.35) CCR9MAPTNPC1F11DGAT1
SCHEMBL30867555 0.83 CCR9 (0.35) CCR9MAPTNPC1F11DGAT1
SCHEMBL29534974 0.81 CCR9 (0.34) CCR9MAPTNPC1F11DGAT1
SCHEMBL20455618 0.81 CCR9 (0.34) CCR9MAPTNPC1F11DGAT1
SCHEMBL30204246 0.80 CCR9 (0.43) CCR9MAPTNPC1F11DGAT1
SCHEMBL26604851 0.80 NPC1 (0.38) CCR9MAPTNPC1F11DGAT1
SCHEMBL31414483 0.80 NPC1 (0.38) CCR9MAPTNPC1F11DGAT1
SCHEMBL31215668 0.79 MAPT (0.33) CCR9MAPTNPC1DGAT1
SCHEMBL24605586 0.77 MAPT (0.34) CCR9MAPTNPC1DGAT1
SCHEMBL23909051 0.76 GRM2 (0.31)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124444-A1 Heterocyclic Compounds and Their Use for Parasitic Diseases CELGENE CORPORATION (US) 2024-04-18 US disclosed
US-20230027198-A1 INHIBITORS OF ENL/AF9 YEATS THE ROCKEFELLER UNIVERSITY 2023-01-26 US disclosed
US-20230027198-A1 INHIBITORS OF ENL/AF9 YEATS THE ROCKEFELLER UNIVERSITY 2023-01-26 US disclosed
EP-4076440-A1 INHIBITORS OF ENL/AF9 YEATS The Rockefeller University (US) 2022-10-26 EP disclosed
WO-2022146920-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2022-07-07 WO disclosed
WO-2021127166-A1 INHIBITORS OF ENL/AF9 YEATS THE ROCKEFELLER UNIVERSITY (US) 2021-06-24 WO disclosed
WO-2021127166-A1 INHIBITORS OF ENL/AF9 YEATS THE ROCKEFELLER UNIVERSITY (US) 2021-06-24 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 (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-20240124444-A1 Heterocyclic Compounds and Their Use for Parasitic Diseases CYP11B2, CYP11B1, CYP8B1 CCR9 1405/4885MAPT 26/4885NPC1 1102/4885
US-20230027198-A1 INHIBITORS OF ENL/AF9 YEATS MLLT3, YEATS2, MLLT1 CCR9 2026/4885MAPT 3429/4885NPC1 3378/4885

“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.