SCHEMBL20839652

SCHEMBL20839652

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

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 14/20 0.69
▸ CDK12 Q9NYV4 14/20 0.69
▸ NUDT1 P36639 3/20 0.55
▸ PIK3C3 Q8NEB9 1/20 0.48
▸ CLK2 P49760 2/20 0.45
▸ CLK3 P49761 2/20 0.45
▸ DYRK1A Q13627 2/20 0.45

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 0.84 CCNK (0.49) CCNKCDK12NUDT1
SCHEMBL22305138 0.84 CCNK (0.60) CCNKCDK12NUDT1PIK3C3CLK2
SCHEMBL20839710 0.82 CCNK (1.00) CCNKCDK12NUDT1PIK3C3CLK2
SCHEMBL20840000 0.79 CCNK (0.44) CCNKCDK12NUDT1
SCHEMBL20839755 0.76 CCNK (0.63) CCNKCDK12
SCHEMBL20849797 0.76 CCNK (1.00) CCNKCDK12
SCHEMBL20839816 0.76 CCNK (1.00) CCNKCDK12
SCHEMBL20839690 0.76 CCNK (0.69) CCNKCDK12
SCHEMBL20839836 0.73 CCNK (0.40) CCNKCDK12NUDT1
SCHEMBL20773417 0.72 KCNH2 (0.53) —

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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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