SCHEMBL29532218

SCHEMBL29532218

O=C1NCc2c(O)cccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.70
CDK5 Q00535 2/20 0.63
DYRK1A Q13627 2/20 0.63
CLK4 Q9HAZ1 2/20 0.63
PIM1 P11309 1/20 0.63
CSNK1A1 P48729 1/20 0.63
ROCK1 Q13464 1/20 0.63
LRRK2 Q5S007 1/20 0.63
DYRK1B Q9Y463 1/20 0.63
PIK3CD O00329 1/20 0.55
PIK3CA P42336 1/20 0.55
PIK3CB P42338 1/20 0.55
LTK P29376 1/20 0.54
MST1R Q04912 1/20 0.54
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
KDR P35968 4/20 0.49
PARP10 Q53GL7 3/20 0.46
PARP11 Q9NR21 3/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL6297545 1.00 PARP1 (0.70) PARP1CDK5DYRK1ACLK4PIM1
SCHEMBL30775229 0.89 PARP1 (0.57) PARP1CDK5DYRK1ACLK4PIM1
SCHEMBL830807 0.82 PARP1 (1.00) PARP1CDK5DYRK1ACLK4PIM1
SCHEMBL19608227 0.80 PIK3CD (0.64) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL5076461 0.80 PARP1 (0.81) PARP1CDK5DYRK1ACLK4PIM1
SCHEMBL15680317 0.78 ACHE (0.68) PARP1CDK5DYRK1ACLK4PIM1
SCHEMBL24148319 0.78 CDK5 (0.61) PARP1CDK5DYRK1ACLK4PIM1
SCHEMBL867264 0.78 PARP1 (0.68) PARP1CDK5DYRK1ACLK4PIM1
SCHEMBL9475196 0.78 PARP1 (0.68) PARP1CDK5DYRK1ACLK4PIM1
SCHEMBL2379452 0.78 CDK5 (0.61) PARP1CDK5DYRK1ACLK4PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-11-04 US disclosed
WO-2024072178-A1 COMPOUND FOR TARGETED PROTEIN DEGRADATION, AND USE THEREOF (주)사이러스테라퓨틱스 2024-04-04 WO disclosed
CN-108884044-B Piperidine derivatives 大塚制药株式会社 2023-01-31 CN disclosed
US-20220041576-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-02-10 US 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-12459921-B2 Isoindoline compound, preparation method, pharmaceutical composition and use thereof CUL4B, CUL4A, UBQLN1 PARP1 2311/4885CDK5 1076/4885DYRK1A 3164/4885
US-20220041576-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF CUL4B, CUL4A, UBQLN1 PARP1 2311/4885CDK5 1076/4885DYRK1A 3164/4885

“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.