SCHEMBL8280140

SCHEMBL8280140

CCOC(=O)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.50
ITK Q08881 1/20 0.50
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
IMPDH2 P12268 1/20 0.46
PDPK1 O15530 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45
NEK1 Q96PY6 5/20 0.45
AXL P30530 5/20 0.45
SGK1 O00141 4/20 0.45
CAMKK2 Q96RR4 3/20 0.45
DYRK1A Q13627 3/20 0.44
CLK1 P49759 1/20 0.44
DYRK1B Q9Y463 1/20 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
SCHEMBL8314581 0.88 SGK1 (0.62) BTKITKMAPK8MAPK9MAPK10
SCHEMBL8442334 0.82 AXL (0.54) ITKMAPK8MAPK9MAPK10PDPK1
SCHEMBL8281203 0.82 CDK8 (0.54) BTKITKIMPDH2NEK1AXL
SCHEMBL2181151 0.81 BTK (0.45) BTKITKIMPDH2NEK1AXL
SCHEMBL13357059 0.81 MAPK8 (0.49) MAPK8MAPK9MAPK10PDPK1PIK3CA
SCHEMBL7971778 0.77 AXL (0.56) BTKITKMAPK8MAPK9MAPK10
SCHEMBL8281297 0.75 JAK1 (0.48) MAPK8MAPK9MAPK10DYRK1ACLK1
SCHEMBL8281313 0.75 JAK1 (0.48) MAPK8MAPK9MAPK10DYRK1ACLK1
SCHEMBL8281331 0.75 PDPK1 (0.49) MAPK8MAPK9MAPK10PDPK1AXL
SCHEMBL3346633 0.75 PRKD3 (0.52) BTKMAPK8MAPK9MAPK10AXL

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 3 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
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 BTK 1875/4885ITK 2541/4885MAPK8 65/4885

“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.