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SCHEMBL22556099

SCHEMBL22556099

COC(=O)Cn1cc(I)c2c(OCC[Si](C)(C)C)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PHKG2 P15735 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ MARK3 P27448 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ IRAK1 P51617 1/20 0.33
▸ CSNK1G2 P78368 1/20 0.33
▸ MAP4K2 Q12851 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CAMK2G Q13555 1/20 0.33
▸ CAMK2D Q13557 1/20 0.33

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
SCHEMBL22569549 0.85 ACACB (0.39) ACACBSMN1; SMN2DYRK3ROCK2PRKD3
SCHEMBL21246829 0.70 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ASRCGAA
SCHEMBL21246736 0.70 SMN1; SMN2 (0.50) SMN1; SMN2KMT2A
SCHEMBL23630543 0.68 ACACB (0.39) ACACBDYRK3ROCK2PRKD3MAP4K4
SCHEMBL23629842 0.68 DAPK1 (0.41) ADK
SCHEMBL23885190 0.66 DYRK3 (0.50) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL4007105 0.66 ADK (0.40) ACACBDYRK3ROCK2PRKD3MAP4K4
SCHEMBL20182244 0.66 ADK (0.35) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL20182344 0.66 DYRK3 (0.42) DYRK3ROCK2PRKD3MAP4K4PHKG2
SCHEMBL25282686 0.65 ADK (0.42) DYRK3ROCK2PRKD3MAP4K4PHKG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-12-06 — — US disclosed
US-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-12-06 — — US disclosed
EP-3749672-B1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RES OICR (CA) 2022-07-27 — — EP disclosed
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-10-22 — — US disclosed
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-10-22 — — 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-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction BCL6, BCL6B, BCL3 ACACB 2343/4885SMN1; SMN2 3475/4885DYRK3 1958/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 ACACB 2319/4885SMN1; SMN2 3429/4885DYRK3 2982/4885

“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.