SCHEMBL20157909

SCHEMBL20157909

CCS(=O)(=O)Cc1ccc(C(=O)c2ccc(Cl)cc2F)c(-c2cn(C)c(=O)cc2CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.34
DDR1 Q08345 2/20 0.33
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
MAPK8 P45983 1/20 0.32
EPAS1 Q99814 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
KLKB1 P03952 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAPK14 Q16539 1/20 0.31

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
SCHEMBL21550125 0.92 ALDH1A1 (0.36) BRD4DDR1MAPK8ALDH1A1TP53
SCHEMBL21550252 0.92 ALDH1A1 (0.34) BRD4DDR1PRMT5WDR77MAPK8
SCHEMBL21362077 0.92 BRD4 (0.40) BRD4MAPK14
SCHEMBL20157907 0.92 MAP2K2 (0.37) BRD4HDAC10HDAC6MAPK14
SCHEMBL21362694 0.92 BRD4 (0.34) BRD4TP53XBP1HTTNPSR1
SCHEMBL20157852 0.90 BRD4 (0.36) BRD4EPAS1HDAC10HDAC6CYP2D6
SCHEMBL20157351 0.90 HDAC10 (0.36) BRD4DDR1MAPK8ALDH1A1TP53
SCHEMBL21564924 0.88 HDAC10 (0.36) BRD4MAPK8TP53HDAC10HDAC6
SCHEMBL21362384 0.88 BRD4 (0.31) BRD4DDR1MAPK8EPAS1ALDH1A1
SCHEMBL20158039 0.88 BRD4 (0.34) BRD4EPAS1HDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 US disclosed
WO-2018086605-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 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 (1 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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 BRD4 7/4885DDR1 3516/4885PRMT5 1835/4885

“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.