SCHEMBL22305138

SCHEMBL22305138

CC(C)(C)OC(=O)NCCc1cc2c(-c3cccnc3)ccnc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 12/20 0.60
▸ CDK12 Q9NYV4 12/20 0.60
▸ NUDT1 P36639 2/20 0.51
▸ IDO1 P14902 1/20 0.50
▸ KIT P10721 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ PIK3C3 Q8NEB9 1/20 0.43
▸ CLK2 P49760 2/20 0.43
▸ CLK3 P49761 2/20 0.43
▸ DYRK1A Q13627 2/20 0.43

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
SCHEMBL20849918 0.87 CCNK (0.45) CCNKCDK12IDO1
SCHEMBL20839652 0.84 CCNK (0.69) CCNKCDK12NUDT1PIK3C3CLK2
SCHEMBL29774289 0.82 BCHE (0.42) CCNKCDK12IDO1
SCHEMBL20849802 0.80 CCNK (0.57) CCNKCDK12
SCHEMBL20849818 0.79 CCNK (0.65) CCNKCDK12
SCHEMBL20849803 0.77 STK17B (0.45) IDO1CYP3A4DYRK1A
SCHEMBL20777607 0.76 IDO1 (0.59) IDO1CYP3A4
SCHEMBL20839710 0.76 CCNK (1.00) CCNKCDK12NUDT1PIK3C3CLK2
SCHEMBL23291114 0.75 IDO1 (0.55) IDO1CYP3A4
SCHEMBL29774301 0.74 CCNK (0.64) CCNKCDK12

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
EP-3684776-B1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE UNIV NOTTINGHAM (GB) 2023-11-01 — — EP disclosed
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

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 CCNK 18/4885CDK12 3/4885NUDT1 1300/4885
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 CCNK 18/4885CDK12 3/4885NUDT1 1300/4885

“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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