SCHEMBL8280106

SCHEMBL8280106

O=C(NCC1CC1)c1cnc2[nH]cc(-c3ccoc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.51
DYRK1B Q9Y463 5/20 0.46
CLK1 P49759 2/20 0.46
DYRK1A Q13627 2/20 0.46
PDPK1 O15530 1/20 0.45
MAPK14 Q16539 5/20 0.45
EP300 Q09472 1/20 0.43
HSPB1 P04792 1/20 0.43
GSK3B P49841 3/20 0.43
DYRK2 Q92630 1/20 0.42
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 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
SCHEMBL8281965 0.87 MEN1 (0.49) CDK8
SCHEMBL13745546 0.85 CDK8 (0.56) CDK8PDPK1MAPK14CCNT1CCNA2
SCHEMBL8281970 0.84 CDK8 (0.54) CDK8DYRK1BCLK1DYRK1APDPK1
SCHEMBL13356977 0.84 CDK8 (0.48) CDK8DYRK1BCLK1DYRK1APDPK1
SCHEMBL8280104 0.83 CDK8 (0.53) CDK8DYRK1BCLK1DYRK1AGSK3B
SCHEMBL8281318 0.82 ROCK2 (0.52) DYRK1BCLK1DYRK1APDPK1GSK3B
SCHEMBL8281969 0.82 DYRK1B (0.61) CDK8DYRK1BCLK1DYRK1AGSK3B
SCHEMBL8281973 0.82 CDK8 (0.51) CDK8DYRK1BCLK1DYRK1APDPK1
SCHEMBL12410693 0.82 CDK8 (0.58) CDK8DYRK1BCLK1DYRK1ADYRK2
SCHEMBL2184197 0.80 CDK8 (0.65) CDK8DYRK1BCLK1DYRK1APDPK1

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
US-20110166173-A1 3,5-DISUBSTUTUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS EISAI CO., LTD. (JP) 2011-07-07 US disclosed
US-20110166173-A1 3,5-DISUBSTUTUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS EISAI CO., LTD. (JP) 2011-07-07 US disclosed
EP-1720871-B1 3,5-DISUBSTITUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS EISAI R&D MAN CO LTD (JP) 2010-05-19 EP disclosed
WO-2005085244-A1 3,5-DISUBSTITUTED 1H-PZRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS EISAI LONDON RESEARCH LABORATORIES LIMITED (GB) 2005-09-15 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-20110166173-A1 3,5-DISUBSTUTUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS API5, CDK5, MAPKAPK5 CDK8 423/4885DYRK1B 1019/4885CLK1 1193/4885

“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.