SCHEMBL20849918

SCHEMBL20849918

CC(C)(C)OC(=O)NCCc1cc2c(-c3cn[nH]c3)ccnc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 11/20 0.45
▸ CDK12 Q9NYV4 11/20 0.45
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ INCENP Q9NQS7 1/20 0.41
▸ TPX2 Q9ULW0 1/20 0.41
▸ CCNT1 O60563 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ ACACB O00763 1/20 0.40
▸ ACACA Q13085 1/20 0.40
▸ MAP3K14 Q99558 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ LATS1 O95835 1/20 0.38

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
SCHEMBL22305138 0.87 CCNK (0.60) CCNKCDK12IDO1
SCHEMBL20839907 0.86 CCNK (0.49) CCNKCDK12AURKAAURKBINCENP
SCHEMBL29774289 0.81 BCHE (0.42) CCNKCDK12CCNT1CDK9IDO1
SCHEMBL20849802 0.80 CCNK (0.57) CCNKCDK12CCNT1CDK9
SCHEMBL20849803 0.76 STK17B (0.45) IDO1
SCHEMBL20839682 0.76 CCNK (0.67) CCNKCDK12AURKAAURKBINCENP
SCHEMBL20849818 0.74 CCNK (0.65) CCNKCDK12
SCHEMBL13014245 0.73 IKBKB (0.58) ROCK1
SCHEMBL29774308 0.72 STK17B (0.45) IDO1AAK1
SCHEMBL13505129 0.71 IKBKB (0.71) ROCK1

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 3/4885AURKA 82/4885
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 CCNK 18/4885CDK12 3/4885AURKA 82/4885

“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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