SCHEMBL20849802

SCHEMBL20849802

Cn1nccc1-c1ccnc2[nH]c(CCNC(=O)OC(C)(C)C)cc12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.57
▸ CDK12 Q9NYV4 17/20 0.57
▸ CCNT1 O60563 2/20 0.43
▸ CDK9 P50750 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ GFER P55789 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
SCHEMBL20839755 0.86 CCNK (0.63) CCNKCDK12
SCHEMBL22305138 0.80 CCNK (0.60) CCNKCDK12
SCHEMBL29774289 0.80 BCHE (0.42) CCNKCDK12CCNT1CDK9ALDH1A1
SCHEMBL20849918 0.80 CCNK (0.45) CCNKCDK12CCNT1CDK9
SCHEMBL20849783 0.79 CCNK (0.60) CCNKCDK12
SCHEMBL20839835 0.77 CCNK (0.58) CCNKCDK12
SCHEMBL20849803 0.76 STK17B (0.45) ALDH1A1GFER
SCHEMBL20849818 0.75 CCNK (0.65) CCNKCDK12
SCHEMBL20839993 0.73 CCNK (1.00) CCNKCDK12
SCHEMBL20849851 0.73 CCNK (1.00) 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
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
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 CCNK 18/4885CDK12 3/4885CCNT1 32/4885
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 CCNK 18/4885CDK12 3/4885CCNT1 32/4885

“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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