SCHEMBL8281964

SCHEMBL8281964

O=C(NC1CCCCC1)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.49
JAK2 O60674 3/20 0.49
ROCK2 O75116 6/20 0.47
RIPK1 Q13546 1/20 0.47
DYRK1A Q13627 3/20 0.46
CLK1 P49759 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
PDPK1 O15530 1/20 0.46
ROCK1 Q13464 2/20 0.44
HPGDS O60760 1/20 0.43
TNIK Q9UKE5 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
CNR1 P21554 1/20 0.43
MAPK1 P28482 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
DYRK2 Q92630 1/20 0.42

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
SCHEMBL8281307 1.00 JAK1 (0.49) JAK1JAK2ROCK2RIPK1DYRK1A
SCHEMBL8281324 0.99 JAK1 (0.48) JAK1JAK2ROCK2RIPK1DYRK1A
SCHEMBL8281322 0.97 JAK1 (0.48) JAK1JAK2ROCK2RIPK1DYRK1A
SCHEMBL8281331 0.94 PDPK1 (0.49) JAK1JAK2ROCK2RIPK1DYRK1A
SCHEMBL8321373 0.83 MAPK8 (0.57) ROCK2RIPK1DYRK1ACLK1DYRK1B
SCHEMBL8281973 0.82 CDK8 (0.51) RIPK1DYRK1ACLK1DYRK1BPDPK1
SCHEMBL13357017 0.82 JAK1 (0.47) JAK1JAK2ROCK2RIPK1DYRK1A
SCHEMBL8281318 0.80 ROCK2 (0.52) ROCK2DYRK1ACLK1DYRK1BPDPK1
SCHEMBL8442334 0.79 AXL (0.54) ROCK2DYRK1ACLK1DYRK1BPDPK1
SCHEMBL8281311 0.78 JAK1 (0.48) JAK1ROCK2DYRK1ACLK1DYRK1B

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 JAK1 544/4885JAK2 1014/4885ROCK2 969/4885

“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.