SCHEMBL20839803

SCHEMBL20839803

C=CC(=O)N1CCOC(C(=O)O)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.57
▸ JAK3 P52333 1/20 0.34
▸ BTK Q06187 7/20 0.33
▸ TET3 O43151 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ FBXL19 Q6PCT2 2/20 0.33
▸ CXXC5 Q7LFL8 2/20 0.33
▸ KDM2B Q8NHM5 2/20 0.33
▸ CXXC4 Q9H2H0 2/20 0.33
▸ KDM2A Q9Y2K7 2/20 0.33
▸ TET1 Q8NFU7 1/20 0.33
▸ KRAS P01116 4/20 0.32
▸ TEAD1 P28347 1/20 0.31
▸ TEAD3 Q99594 1/20 0.31

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
SCHEMBL3516619 0.80 PDK1 (0.66) PDK1
SCHEMBL4137922 0.80 PDK1 (0.66) PDK1
SCHEMBL27669802 0.80 PDK1 (0.66) PDK1
SCHEMBL31395068 0.77 PDK1 (0.50) PDK1JAK3BTKKRAS
SCHEMBL21641656 0.77 PDK1 (0.50) PDK1JAK3BTKKRAS
SCHEMBL31395014 0.77 PDK1 (0.50) PDK1JAK3BTKKRAS
SCHEMBL1119076 0.77 PDK1 (0.62) PDK1
SCHEMBL27172500 0.77 PDK1 (0.62) PDK1
SCHEMBL27595538 0.77 PDK1 (0.62) PDK1
SCHEMBL20752420 0.74 PDK1 (0.58) PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3684776-B1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE UNIV NOTTINGHAM (GB) 2023-11-01 — — EP disclosed
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase UNIV NOTTINGHAM (GB) 2022-08-09 — — US disclosed
US-20200247824-A1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE THE UNIVERSITY OF NOTTINGHAM (GB) 2020-08-06 — — US disclosed
EP-3684776-A1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE The University of Nottingham (GB) 2020-07-29 — — EP disclosed
WO-2019058132-A1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE THE UNIVERSITY OF NOTTINGHAM (GB) 2019-03-28 — — 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 (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-20200247824-A1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE CDK1, CDK11A, CDK12 PDK1 217/4885JAK3 1583/4885BTK 2149/4885
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 PDK1 217/4885JAK3 1583/4885BTK 2149/4885

“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.

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