SCHEMBL20839795

SCHEMBL20839795

c1cc(-c2ccc3[nH]nnc3c2)c2cc[nH]c2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 2/20 0.65
▸ CDK12 Q9NYV4 2/20 0.65
▸ PRKCI P41743 8/20 0.60
▸ AURKB Q96GD4 2/20 0.55
▸ AURKA O14965 1/20 0.55
▸ INCENP Q9NQS7 1/20 0.55
▸ TPX2 Q9ULW0 1/20 0.55
▸ IKBKB O14920 4/20 0.52
▸ CHUK O15111 4/20 0.52
▸ DAPK3 O43293 1/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ MAP4K4 O95819 1/20 0.52
▸ PAK4 O96013 1/20 0.52
▸ CSF1R P07333 1/20 0.52
▸ RET P07949 1/20 0.52
▸ IGF1R P08069 1/20 0.52
▸ FGFR1 P11362 1/20 0.52
▸ PRKACA P17612 1/20 0.52
▸ FLT1 P17948 1/20 0.52

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
SCHEMBL4792095 0.84 CCNK (0.50) CCNKCDK12PRKCIAURKBAURKA
SCHEMBL18136895 0.80 DYRK1B (0.55) DAPK3PRKD3MAP4K4PAK4PRKACA
SCHEMBL1838406 0.77 NUDT1 (0.67) CCNKCDK12PRKCIAURKBAURKA
SCHEMBL14020099 0.76 CCNK (0.58) CCNKCDK12PRKCIAURKBAURKA
SCHEMBL31420118 0.76 CCNK (0.58) CCNKCDK12PRKCIAURKBAURKA
SCHEMBL5120405 0.74 CCNK (0.62) CCNKCDK12PRKCIAURKBIKBKB
SCHEMBL20849864 0.73 CCNK (1.00) CCNKCDK12PRKCIAURKBAURKA
SCHEMBL1717710 0.73 PRKCI (0.61) CCNKCDK12PRKCIAURKBAURKA
SCHEMBL1718138 0.73 NUDT1 (0.67) CCNKCDK12PRKCIAURKBAURKA
SCHEMBL19640293 0.72 CLK1 (0.34) JAK2FGFR1CLK2CDK5DYRK1A

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 3/4885PRKCI 485/4885
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 CCNK 18/4885CDK12 3/4885PRKCI 485/4885

“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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