SCHEMBL20157334

SCHEMBL20157334

Cn1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)OC(C)(C)C)cc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
AAK1 Q2M2I8 2/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4A O75164 1/20 0.34
KCNA5 P22460 1/20 0.34
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 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
SCHEMBL21354493 0.84 HIF1A (0.32) PRMT5WDR77HIF1A
SCHEMBL21362444 0.84 PRMT5 (0.43) PRMT5WDR77AAK1CA1CA2
SCHEMBL21550012 0.81 AAK1 (0.38) PRMT5WDR77AAK1CA1CA9
SCHEMBL21550149 0.80 PRMT5 (0.36) PRMT5WDR77AAK1HIF1A
SCHEMBL21351864 0.78 PRMT5 (0.32) PRMT5WDR77AAK1HIF1A
SCHEMBL24502715 0.78 PRMT5 (0.48) PRMT5WDR77AAK1CA1CA2
SCHEMBL29903067 0.78 PRMT5 (0.48) PRMT5WDR77AAK1CA1CA2
SCHEMBL1615770 0.77 PRMT5 (0.48) PRMT5WDR77AAK1CA1CA7
SCHEMBL18917967 0.77 CXCR2 (0.47) PRMT5WDR77AAK1KDM4A
SCHEMBL20157341 0.77 KDM4E (0.40) PRMT5WDR77CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111819181-A Benzo-seven-membered heterocyclic compound, preparation method, pharmaceutical composition and application thereof 罗欣药业(上海)有限公司 2020-10-23 CN disclosed
WO-2019214399-A1 BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF 罗欣药业(上海)有限公司 (CN) 2019-11-14 WO disclosed
WO-2019214399-A1 BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF 罗欣药业(上海)有限公司 (CN) 2019-11-14 WO disclosed
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
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 PRMT5 1835/4885WDR77 339/4885AAK1 3175/4885

“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.