SCHEMBL20849907

SCHEMBL20849907

c1cncc(Cn2cc(-c3ccnc4[nH]ccc34)nn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNK O75909 5/20 1.00
CDK12 Q9NYV4 5/20 1.00
NUDT1 P36639 1/20 0.51
CCNE1 P24864 4/20 0.47
CDK2 P24941 4/20 0.47
JAK1 P23458 3/20 0.46
PRKCI P41743 1/20 0.46
TEK Q02763 5/20 0.46
KDR P35968 4/20 0.46
GUSB P08236 1/20 0.46
EPHB4 P54760 1/20 0.45
JAK2 O60674 2/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 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
SCHEMBL30009427 0.90 CCNK (1.00) CCNKCDK12NUDT1CCNE1CDK2
SCHEMBL20839635 0.90 CCNK (1.00) CCNKCDK12NUDT1CCNE1CDK2
SCHEMBL20849889 0.83 CCNK (0.79) CCNKCDK12NUDT1CCNE1CDK2
SCHEMBL20839751 0.81 CCNK (1.00) CCNKCDK12JAK1
SCHEMBL30574749 0.81 CCNK (0.75) CCNKCDK12NUDT1CCNE1CDK2
SCHEMBL99693 0.81 CCNK (0.67) CCNKCDK12NUDT1JAK1PRKCI
SCHEMBL29541183 0.81 CCNK (0.67) CCNKCDK12NUDT1JAK1PRKCI
SCHEMBL20849913 0.79 CCNK (1.00) CCNKCDK12NUDT1CCNE1CDK2
SCHEMBL719570 0.75 CCNK (0.71) CCNKCDK12CCNE1CDK2KDR
SCHEMBL25351686 0.74 CCNK (0.64) CCNKCDK12CCNE1CDK2JAK1

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 6 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
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.