SCHEMBL20839835

SCHEMBL20839835

Cn1nccc1-c1ccnc2[nH]c(CCN)cc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 13/20 0.58
▸ CDK12 Q9NYV4 13/20 0.58
▸ PDPK1 O15530 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ ROCK1 Q13464 2/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ CDC42BPB Q9Y5S2 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ CHUK O15111 1/20 0.37
▸ NUDT1 P36639 1/20 0.37

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
SCHEMBL20849783 0.83 CCNK (0.60) CCNKCDK12
SCHEMBL20839755 0.82 CCNK (0.63) CCNKCDK12
SCHEMBL20849802 0.77 CCNK (0.57) CCNKCDK12
SCHEMBL20839641 0.73 CCNK (1.00) CCNKCDK12
SCHEMBL20839710 0.72 CCNK (1.00) CCNKCDK12ROCK1IKBKBCHUK
SCHEMBL20839682 0.71 CCNK (0.67) CCNKCDK12ROCK1ROCK2CDC42BPB
SCHEMBL20839644 0.67 CCNK (0.87) CCNKCDK12
SCHEMBL30612335 0.67 CCNK (0.87) CCNKCDK12
SCHEMBL20839824 0.64 CCNK (0.84) CCNKCDK12
SCHEMBL3904878 0.62 HTR2A (0.56) —

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 3/4885PDPK1 696/4885
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 CCNK 18/4885CDK12 3/4885PDPK1 696/4885

“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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