SCHEMBL20157896

SCHEMBL20157896

CCS(=O)(=O)Cc1ccc(-c2cn(C)c(=O)cc2CNC(=O)OC(C)(C)C)c(C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.35
GRM2 Q14416 1/20 0.35
MAPK14 Q16539 1/20 0.35
HDAC10 Q969S8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
KCNA5 P22460 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GNRHR P30968 1/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL20157755 0.94 BRD4 (0.35) BRD4GRM2MAPK14HDAC10HDAC6
SCHEMBL21362121 0.87 BRD4 (0.34) BRD4RAF1BRAF
SCHEMBL20157348 0.86 HDAC10 (0.35) BRD4HDAC10HDAC6RAF1BRAF
SCHEMBL20158054 0.86 BRD4 (0.41) BRD4GRM2MAPK14HDAC10HDAC6
SCHEMBL21550010 0.86 BRD4 (0.36) BRD4GRM2MAPK14HDAC10HDAC6
SCHEMBL20157351 0.86 HDAC10 (0.36) BRD4HDAC10HDAC6KCNA5MAPT
SCHEMBL21362117 0.85 GRM2 (0.34) BRD4GRM2HDAC10HDAC6RAF1
SCHEMBL21362077 0.85 BRD4 (0.40) BRD4GRM2MAPK14
SCHEMBL20157852 0.84 BRD4 (0.36) BRD4GRM2HDAC10HDAC6P2RX7
SCHEMBL20157320 0.84 EPHX2 (0.41) BRD4KCNA5THRBMAPT

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 3 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
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP 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 7/4885GRM2 4304/4885MAPK14 418/4885

“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.