SCHEMBL21262644

SCHEMBL21262644

COC[C@H]1COCCN1c1cc(N)c(Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 6/20 0.45
▸ FPR2 P25090 5/20 0.45
▸ PDK1 Q15118 2/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ PIK3CA P42336 3/20 0.35
▸ ATR Q13535 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ PIK3R1 P27986 2/20 0.33
▸ MDM2 Q00987 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
SCHEMBL21262639 1.00 MTOR (0.45) MTORFPR2PDK1PDK2PDK3
SCHEMBL22556089 1.00 MTOR (0.45) MTORFPR2PDK1PDK2PDK3
SCHEMBL22556145 0.87 MTOR (0.45) MTORFPR2PIK3CAATRAURKA
SCHEMBL22556144 0.87 MTOR (0.45) MTORFPR2PIK3CAATRAURKA
SCHEMBL21262225 0.85 FPR2 (0.44) MTORFPR2PIK3CAATRAURKA
SCHEMBL22569553 0.81 MTOR (0.35) MTORFPR2PIK3CAATRAURKA
SCHEMBL22569432 0.81 MTOR (0.35) MTORFPR2PIK3CAATRAURKA
SCHEMBL21262098 0.80 ATR (0.47) MTORPIK3CDPIK3CGPIK3CAATR
SCHEMBL22556125 0.80 ATR (0.47) MTORPIK3CDPIK3CGPIK3CAATR
SCHEMBL21262100 0.80 ATR (0.47) MTORPIK3CDPIK3CGPIK3CAATR

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 6 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
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 MTOR 2064/4885FPR2 4516/4885PDK1 869/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 MTOR 2027/4885FPR2 4485/4885PDK1 662/4885

“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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