SCHEMBL8281968

SCHEMBL8281968

O=C(Nc1ccccc1C(F)(F)F)c1cnc2[nH]cc(-c3ccoc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.54
DYRK1A Q13627 5/20 0.49
CLK1 P49759 4/20 0.49
DYRK1B Q9Y463 3/20 0.49
DYRK2 Q92630 1/20 0.48
IGF1R P08069 1/20 0.47
AXL P30530 5/20 0.44
PRKD3 O94806 3/20 0.44
MAP4K4 O95819 3/20 0.44
EGFR P00533 3/20 0.44
NTRK1 P04629 3/20 0.44
FLT4 P35916 3/20 0.44
FLT3 P36888 3/20 0.44
CLK2 P49760 3/20 0.44
MAP4K2 Q12851 3/20 0.44
CAMK2B Q13554 3/20 0.44
CAMK2G Q13555 3/20 0.44
CAMK2D Q13557 3/20 0.44
PTK6 Q13882 3/20 0.44
NTRK3 Q16288 3/20 0.44

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
SCHEMBL8280111 0.87 CDK8 (0.57) CDK8DYRK1ACLK1DYRK1BDYRK2
SCHEMBL13356743 0.86 CDK8 (0.54) CDK8DYRK1ACLK1DYRK1BDYRK2
SCHEMBL8281301 0.85 CDK8 (0.57) CDK8DYRK1ACLK1DYRK1BDYRK2
SCHEMBL8280100 0.84 CDK8 (0.56) CDK8DYRK1ACLK1DYRK1BDYRK2
SCHEMBL2182230 0.82 IGF1R (0.55) CDK8DYRK1ACLK1DYRK1BDYRK2
SCHEMBL8280094 0.82 CDK8 (0.56) CDK8DYRK1ACLK1DYRK1BDYRK2
SCHEMBL8282410 0.81 PTK2 (0.61) CDK8DYRK1ACLK1DYRK1BDYRK2
SCHEMBL8281958 0.81 IGF1R (0.69) CDK8DYRK1ACLK1DYRK1BDYRK2
SCHEMBL8320344 0.80 CDK8 (0.69) CDK8IGF1RAXLNTRK1RIPK1
SCHEMBL8280097 0.80 DYRK1B (0.49) CDK8DYRK1ACLK1DYRK1BGSK3B

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 423/4885DYRK1A 911/4885CLK1 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.