SCHEMBL8280100

SCHEMBL8280100

O=C(Nc1cccc2ccccc12)c1cnc2[nH]cc(-c3ccoc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.56
DYRK1A Q13627 6/20 0.52
DYRK1B Q9Y463 3/20 0.52
CLK1 P49759 2/20 0.52
DYRK2 Q92630 1/20 0.52
IGF1R P08069 1/20 0.50
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.46
AXL P30530 9/20 0.45
PRKD3 O94806 5/20 0.45
NTRK1 P04629 5/20 0.45
FLT4 P35916 5/20 0.45
FLT3 P36888 5/20 0.45
CLK2 P49760 5/20 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
SCHEMBL8281301 0.87 CDK8 (0.57) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL8280111 0.87 CDK8 (0.57) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL2182230 0.84 IGF1R (0.55) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL8281968 0.84 CDK8 (0.54) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL13356743 0.84 CDK8 (0.54) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL8280094 0.84 CDK8 (0.56) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL8282410 0.82 PTK2 (0.61) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL8281958 0.82 IGF1R (0.69) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL8280115 0.82 DYRK1A (0.60) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL8281969 0.82 DYRK1B (0.61) CDK8DYRK1ADYRK1BCLK1IGF1R

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 911/4885DYRK1B 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.