SCHEMBL20839877

SCHEMBL20839877

COCCNC(=O)c1cc2c(Cl)ccnc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 2/20 0.59
▸ CDK12 Q9NYV4 2/20 0.59
▸ HPGD P15428 4/20 0.51
▸ NUDT1 P36639 2/20 0.49
▸ ALPL P05186 1/20 0.49
▸ CCNC P24863 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ HASPIN Q8TF76 1/20 0.45
▸ PYGL P06737 2/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SLC40A1 Q9NP59 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.41

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
SCHEMBL31240792 0.81 CHUK (0.53) CCNKCDK12HPGDNUDT1TNKS2
SCHEMBL20839651 0.81 CCNK (0.58) CCNKCDK12HPGDNUDT1ALPL
SCHEMBL20839976 0.80 NUDT1 (0.63) CCNKCDK12NUDT1CCNCCDK8
SCHEMBL899166 0.80 ABL1 (0.45) NUDT1ALPLALDH1A1MAPT
SCHEMBL30226495 0.80 ABL1 (0.45) NUDT1ALPLALDH1A1MAPT
SCHEMBL30633400 0.78 KDM4E (0.55) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL26686587 0.78 KDM4E (0.55) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL14670783 0.78 CCNK (0.41) CCNKCDK12HPGDNUDT1ALPL
SCHEMBL30731139 0.77 CCNK (0.55) CCNKCDK12HPGDCCNCCDK8
SCHEMBL17126117 0.75 NUDT1 (0.48) HPGDNUDT1ALPLKDM4EALDH1A1

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 3/4885HPGD 3266/4885
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 CCNK 18/4885CDK12 3/4885HPGD 3266/4885

“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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