SCHEMBL21246804

SCHEMBL21246804

Nc1cc(N2CC[C@H](F)C2)ncc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 7/20 0.39
PTPN11 Q06124 1/20 0.38
CDK9 P50750 1/20 0.37
SMO Q99835 3/20 0.37
HRH4 Q9H3N8 1/20 0.36
CHRM3 P20309 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CTSD P07339 2/20 0.35
BACE1 P56817 2/20 0.35
KCNH2 Q12809 1/20 0.35
LRRK2 Q5S007 4/20 0.35

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
SCHEMBL21246806 1.00 MAP3K12 (0.39) MAP3K12PTPN11CDK9SMOHRH4
SCHEMBL22556090 0.80 MAP3K12 (0.41) MAP3K12SMOLRRK2
SCHEMBL21262340 0.80 MAP3K12 (0.41) MAP3K12SMOLRRK2
SCHEMBL21262026 0.77 CNR2 (0.44) HRH4
SCHEMBL30137174 0.76 SMPD3 (0.42) MAP3K12PTPN11SMO
SCHEMBL21262341 0.76 SMPD3 (0.42) MAP3K12PTPN11SMO
SCHEMBL30137194 0.76 MAP3K12 (0.40) MAP3K12LRRK2
SCHEMBL21262247 0.76 MAP3K12 (0.40) MAP3K12LRRK2
SCHEMBL15184489 0.75 HRH4 (0.42) MAP3K12CDK9HRH4LRRK2
SCHEMBL15184586 0.75 HRH4 (0.42) MAP3K12CDK9HRH4LRRK2

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 MAP3K12 1874/4885PTPN11 1064/4885CDK9 1235/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 MAP3K12 1721/4885PTPN11 1107/4885CDK9 1022/4885

“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.