SCHEMBL21496748

SCHEMBL21496748

COC(=O)c1cccc2c1CNC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.50
CLK4 Q9HAZ1 4/20 0.50
PIM1 P11309 3/20 0.50
CDK5 Q00535 2/20 0.50
DYRK1A Q13627 2/20 0.50
CSNK1A1 P48729 1/20 0.50
LRRK2 Q5S007 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
PARP1 P09874 1/20 0.49
KDR P35968 9/20 0.48
PTPRC P08575 1/20 0.47
ROCK2 O75116 3/20 0.44
MAP4K4 O95819 3/20 0.44
LCK P06239 3/20 0.44
RET P07949 3/20 0.44
RPS6KB1 P23443 3/20 0.44
BLK P51451 3/20 0.44
STK3 Q13188 3/20 0.44
TAOK1 Q7L7X3 3/20 0.44
HIPK4 Q8NE63 3/20 0.44

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
SCHEMBL6922984 0.86 PARP1 (0.58) PARP1PTPRC
SCHEMBL3093729 0.79 AURKA (0.57) ROCK1CLK4PIM1CDK5DYRK1A
SCHEMBL29517735 0.78 CLK4 (0.50) ROCK1CLK4PIM1CDK5DYRK1A
SCHEMBL22636416 0.78 CLK4 (0.50) ROCK1CLK4PIM1CDK5DYRK1A
SCHEMBL31520184 0.78 CLK4 (0.53) ROCK1CLK4PIM1CDK5DYRK1A
SCHEMBL1335441 0.76 CLK4 (0.50) ROCK1CLK4PIM1CDK5DYRK1A
SCHEMBL14178911 0.76 PTPRC (0.51) PARP1PTPRCKDM4EPOLBATM
SCHEMBL24001517 0.76 PIK3CD (0.47) PARP1KDRPIK3CDPIK3CAPIK3CB
SCHEMBL31305912 0.76 PTPRC (0.50) PTPRCKDM4EPOLBATM
SCHEMBL7406575 0.76 PTPRC (0.50) PTPRCKDM4EPOLBATM

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-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 US disclosed
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 US disclosed
US-11535607-B2 Isoindolines as HDAC inhibitors VALO HEALTH, INC. (US) 2022-12-27 US disclosed
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS VALO EARLY DISCOVERY, INC. (US) 2021-08-19 US disclosed
EP-3784654-A1 ISOINDOLINES AS HDAC INHIBITORS Valo Early Discovery, Inc. (US) 2021-03-03 EP disclosed
CN-112292370-A Isoindolines as HDAC inhibitors 瓦洛早期发现股份有限公司 2021-01-29 CN disclosed
WO-2019204550-A1 ISOINDOLINES AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-10-24 WO disclosed
WO-2019204550-A1 ISOINDOLINES AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-10-24 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 (3 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-11535607-B2 Isoindolines as HDAC inhibitors HDAC1, HDAC2, HDAC3 ROCK1 1524/4885CLK4 929/4885PIM1 4147/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 ROCK1 1462/4885CLK4 770/4885PIM1 4042/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 ROCK1 1524/4885CLK4 929/4885PIM1 4147/4885

“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.