SCHEMBL20839651

SCHEMBL20839651

CC(C)CNC(=O)c1cc2c(Cl)ccnc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 2/20 0.58
▸ CDK12 Q9NYV4 2/20 0.58
▸ NUDT1 P36639 4/20 0.50
▸ HPGD P15428 2/20 0.50
▸ ALPL P05186 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ IDH1 O75874 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ JAK2 O60674 1/20 0.40

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
SCHEMBL20839877 0.81 CCNK (0.59) CCNKCDK12NUDT1HPGDALPL
SCHEMBL20839976 0.81 NUDT1 (0.63) CCNKCDK12NUDT1KMT2A
SCHEMBL30731127 0.76 CCNK (0.54) CCNKCDK12HSD17B10GAAKMT2A
SCHEMBL20839678 0.76 GRIN1 (0.46) NUDT1HPGDKDM4EKMT2ALMNA
SCHEMBL30239581 0.76 GRIN1 (0.46) NUDT1HPGDKDM4EKMT2ALMNA
SCHEMBL23147720 0.76 NUDT1 (0.46) CCNKCDK12NUDT1JAK2
SCHEMBL30226495 0.75 ABL1 (0.45) NUDT1ALPL
SCHEMBL899166 0.75 ABL1 (0.45) NUDT1ALPL
SCHEMBL20839895 0.75 NUDT1 (0.61) CCNKCDK12NUDT1
SCHEMBL30731013 0.75 NUDT1 (0.61) CCNKCDK12NUDT1

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 5 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
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 (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 3/4885NUDT1 1300/4885
US-11407767-B2 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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