SCHEMBL9087301

SCHEMBL9087301

COC(=O)c1cccn2c(Cl)c(C)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
MYC P01106 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PTGS2 P35354 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL25401698 0.84 KDM4E (0.51) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL9091033 0.78 KDM4E (0.42) SMN1; SMN2AKT1AKT2KDM4EPOLB
SCHEMBL10518747 0.77 ATP4A (0.41) SMN1; SMN2AKT1AKT2KDM4EPOLB
SCHEMBL24517983 0.73 KDM4E (0.50) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL7512197 0.72 CYP1A2 (0.54) SMN1; SMN2MAPTRAB9AKDM4EPOLB
SCHEMBL21798882 0.71 KDM4E (0.73) SMN1; SMN2AKT1AKT2MAPTKDM4E
SCHEMBL9089968 0.71 ALDH1A1 (0.44) SMN1; SMN2L3MBTL1NPC1MAPTRAB9A
SCHEMBL9080404 0.70 KMT2A (0.48) SMN1; SMN2MAPTRAB9APOLBALDH1A1
SCHEMBL8189743 0.70 AKT1 (0.60) SMN1; SMN2AKT1AKT2NPC1MAPT
SCHEMBL8815230 0.70 KDM4E (0.43) SMN1; SMN2L3MBTL1NPC1MAPTNFKB1

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-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 US disclosed
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
CN-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 WO disclosed
US-5498774-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-12 US disclosed
EP-0404190-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-10-25 EP disclosed
EP-0404190-A1 Condensed heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-12-27 EP 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-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 SMN1; SMN2 777/4885AKT1 3265/4885AKT2 3203/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 SMN1; SMN2 213/4885AKT1 1929/4885AKT2 2116/4885

“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.