SCHEMBL21246746

SCHEMBL21246746

Nc1cc(N2CCC2)nc(F)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NUDT1 P36639 3/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CHRM3 P20309 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL21246749 0.97 HRH4 (0.45) HRH4SMN1; SMN2CYP1A2LMNATSHR
SCHEMBL21246754 0.90 HRH4 (0.54) HRH4HSD17B10
SCHEMBL21246844 0.80 HRH4 (0.41) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL21246842 0.80 HRH4 (0.41) HRH4CHRM3PDE4APDE4BPDE4C
SCHEMBL21262492 0.78 CASP1 (0.47) ADORA2AADORA1CASP1CASP4CASP5
SCHEMBL29750789 0.78 CASP1 (0.47) ADORA2AADORA1CASP1CASP4CASP5
SCHEMBL21246977 0.75 HRH4 (0.48) HRH4
SCHEMBL21262268 0.74 PKM (0.44) TSHRKMT2ACHRM3PDE4APDE4B
SCHEMBL22556126 0.74 HRH3 (0.37) HRH4
SCHEMBL21262309 0.74 HRH3 (0.37) HRH4

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 8 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
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
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
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 HRH4 4453/4885SMN1; SMN2 3475/4885CYP1A2 3700/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 HRH4 4558/4885SMN1; SMN2 3429/4885CYP1A2 4127/4885

“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.