SCHEMBL12410693

SCHEMBL12410693

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.58
DYRK1A Q13627 4/20 0.55
DYRK1B Q9Y463 5/20 0.52
CLK1 P49759 2/20 0.52
DYRK2 Q92630 1/20 0.47
CCNT1 O60563 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
TNIK Q9UKE5 2/20 0.45
IGF1R P08069 1/20 0.44
SGK1 O00141 3/20 0.44
AXL P30530 5/20 0.43
CAMKK2 Q96RR4 2/20 0.43
NEK1 Q96PY6 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
SCHEMBL8282784 0.87 DYRK1A (0.63) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL2184197 0.86 CDK8 (0.65) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL8280104 0.85 CDK8 (0.53) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL8281304 0.85 CDK8 (0.60) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL8281970 0.84 CDK8 (0.54) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL8280113 0.83 CDK8 (0.53) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL8280108 0.83 DYRK1A (0.50) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL8281308 0.82 DYRK1A (0.63) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL8280111 0.82 CDK8 (0.57) CDK8DYRK1ADYRK1BCLK1DYRK2
SCHEMBL8281949 0.82 CDK8 (0.60) CDK8DYRK1ADYRK1BCLK1DYRK2

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 2 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

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.