SCHEMBL20839682

SCHEMBL20839682

NCCc1cc2c(-c3cn[nH]c3)ccnc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 7/20 0.67
▸ CDK12 Q9NYV4 7/20 0.67
▸ AURKA O14965 1/20 0.52
▸ AURKB Q96GD4 1/20 0.52
▸ INCENP Q9NQS7 1/20 0.52
▸ TPX2 Q9ULW0 1/20 0.52
▸ NUDT1 P36639 1/20 0.43
▸ ROCK1 Q13464 4/20 0.42
▸ IKBKB O14920 3/20 0.42
▸ CHUK O15111 3/20 0.42
▸ AKT2 P31751 1/20 0.39
▸ MAP3K14 Q99558 3/20 0.38
▸ AKT1 P31749 1/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ CDC42BPB Q9Y5S2 2/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ CDC42BPA Q5VT25 1/20 0.36

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
SCHEMBL20839907 0.81 CCNK (0.49) CCNKCDK12AURKAAURKBINCENP
SCHEMBL20839710 0.81 CCNK (1.00) CCNKCDK12NUDT1ROCK1IKBKB
SCHEMBL20849918 0.76 CCNK (0.45) CCNKCDK12AURKAAURKBINCENP
SCHEMBL20839641 0.72 CCNK (1.00) CCNKCDK12
SCHEMBL1841326 0.71 AURKA (0.48) AURKAAURKBINCENPTPX2CHUK
SCHEMBL20839835 0.71 CCNK (0.58) CCNKCDK12NUDT1ROCK1IKBKB
SCHEMBL2239177 0.69 AURKB (1.00) CCNKCDK12AURKAAURKBINCENP
SCHEMBL31061291 0.69 AURKB (1.00) CCNKCDK12AURKAAURKBINCENP
SCHEMBL20927793 0.66 PRMT5 (0.45) AURKAAURKBINCENPTPX2ROCK2
SCHEMBL3430462 0.64 AURKA (0.56) AURKAAURKBINCENPTPX2AKT2

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 8 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
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
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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