SCHEMBL8281985

SCHEMBL8281985

O=C(Nc1ccc2ncccc2c1)c1cnc2[nH]cc(-c3ccoc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.53
CLK1 P49759 4/20 0.53
DYRK1B Q9Y463 3/20 0.53
DYRK2 Q92630 1/20 0.52
PABPC1 P11940 1/20 0.51
LRRK2 Q5S007 1/20 0.49
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
POLB P06746 2/20 0.48
CDK8 P49336 1/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
IGF1R P08069 1/20 0.44
HTT P42858 1/20 0.44
PRKD3 O94806 1/20 0.43

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
SCHEMBL8281961 0.84 DYRK1A (0.57) DYRK1ACLK1DYRK1BDYRK2LRRK2
SCHEMBL8281950 0.83 DYRK1A (0.55) DYRK1ACLK1DYRK1BDYRK2LRRK2
SCHEMBL8282784 0.82 DYRK1A (0.63) DYRK1ACLK1DYRK1BDYRK2LRRK2
SCHEMBL8281308 0.82 DYRK1A (0.63) DYRK1ACLK1DYRK1BDYRK2LRRK2
SCHEMBL8281986 0.81 DYRK1A (0.60) DYRK1ACLK1DYRK1BDYRK2LRRK2
SCHEMBL8280115 0.81 DYRK1A (0.60) DYRK1ACLK1DYRK1BDYRK2CDK8
SCHEMBL8280100 0.81 CDK8 (0.56) DYRK1ACLK1DYRK1BDYRK2NPC1
SCHEMBL8280094 0.81 CDK8 (0.56) DYRK1ACLK1DYRK1BDYRK2NPC1
SCHEMBL8280093 0.80 CLK1 (0.55) DYRK1ACLK1DYRK1BDYRK2NPC1
SCHEMBL8281966 0.80 RAB9A (0.57) DYRK1ACLK1DYRK1BDYRK2NPC1

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 DYRK1A 911/4885CLK1 1193/4885DYRK1B 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.