SCHEMBL8281973

SCHEMBL8281973

O=C(NC1CCCCC1)c1cnc2[nH]cc(-c3ccoc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.51
RIPK1 Q13546 1/20 0.47
DYRK1B Q9Y463 3/20 0.46
CLK1 P49759 2/20 0.46
DYRK1A Q13627 2/20 0.46
CDK2 P24941 2/20 0.44
IGF1R P08069 2/20 0.44
PDPK1 O15530 3/20 0.44
TNIK Q9UKE5 1/20 0.44
CNR1 P21554 1/20 0.43
DYRK2 Q92630 1/20 0.42
HPGDS O60760 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK9 P50750 1/20 0.41
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
AXL P30530 2/20 0.40
CDC7 O00311 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
SCHEMBL8281970 0.95 CDK8 (0.54) CDK8RIPK1DYRK1BCLK1DYRK1A
SCHEMBL13745394 0.85 CDK8 (0.56) CDK8RIPK1CDK2IGF1RCCNT1
SCHEMBL8281307 0.82 JAK1 (0.49) RIPK1DYRK1BCLK1DYRK1APDPK1
SCHEMBL8281964 0.82 JAK1 (0.49) RIPK1DYRK1BCLK1DYRK1APDPK1
SCHEMBL8280106 0.82 CDK8 (0.51) CDK8DYRK1BCLK1DYRK1ACDK2
SCHEMBL12410693 0.82 CDK8 (0.58) CDK8DYRK1BCLK1DYRK1ACDK2
SCHEMBL8281324 0.81 JAK1 (0.48) RIPK1DYRK1BCLK1DYRK1ACDK2
SCHEMBL2184197 0.80 CDK8 (0.65) CDK8DYRK1BCLK1DYRK1ACDK2
SCHEMBL8317282 0.79 CDK8 (0.59) CDK8RIPK1CDK2IGF1RTNIK
SCHEMBL8280104 0.79 CDK8 (0.53) CDK8DYRK1BCLK1DYRK1ACDK2

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 423/4885RIPK1 62/4885DYRK1B 1019/4885

“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.