SCHEMBL21246870

SCHEMBL21246870

C[Si](C)(C)CCOc1ncnc2[nH]cc(Br)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
CHUK O15111 1/20 0.44
PDPK1 O15530 1/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
NTRK1 P04629 1/20 0.44
PRKCG P05129 1/20 0.44
INSR P06213 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CDK1 P06493 1/20 0.44
FES P07332 1/20 0.44
CSF1R P07333 1/20 0.44
LYN P07948 1/20 0.44
ROS1 P08922 1/20 0.44

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
SCHEMBL21246744 0.82 TRPA1 (0.49) CDC7PLK4CHEK1CHUKPDPK1
SCHEMBL4009650 0.81 CDC7 (0.43) CDC7PLK4CHEK1CHUKPDPK1
SCHEMBL22569471 0.81 CDC7 (0.43) CDC7PLK4CHEK1CHUKPDPK1
SCHEMBL4005872 0.78 PDPK1 (0.40) CDC7PLK4CHEK1CHUKPDPK1
SCHEMBL4009511 0.73 MAP3K7 (0.48) CDC7PLK4CHEK1CHUKPDPK1
SCHEMBL31570032 0.71 PDPK1 (0.33) CDC7PLK4CHEK1CHUKPDPK1
SCHEMBL13369897 0.71 PDPK1 (0.33) CDC7PLK4CHEK1CHUKPDPK1
SCHEMBL21262326 0.70 TRPA1 (0.51) PRKD3MAP4K4PAK4CSF1RPIM1
SCHEMBL19306619 0.69 BRAF (0.41) CHEK1PRKD3MAP4K4PAK4NTRK1
SCHEMBL4006486 0.68 BRAF (0.39) CDC7PLK4CHEK1CHUKPDPK1

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
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
EP-3749672-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2020-12-16 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
WO-2019153080-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-08-15 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-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction BCL6, BCL6B, BCL3 CDC7 1910/4885PLK4 1442/4885CHEK1 1794/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 CDC7 1690/4885PLK4 1537/4885CHEK1 1970/4885

“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.