SCHEMBL8320126

SCHEMBL8320126

CCOC(=O)c1ccc(-c2cnc3[nH]cc(I)c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 4/20 0.57
CAMKK2 Q96RR4 4/20 0.57
BTK Q06187 1/20 0.52
ITK Q08881 1/20 0.52
AXL P30530 5/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
NEK1 Q96PY6 1/20 0.47
MAOB P27338 1/20 0.46
BRD4 O60885 1/20 0.46
AAK1 Q2M2I8 1/20 0.45
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK2 Q92630 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
MAP3K11 Q16584 1/20 0.45
IMPDH2 P12268 1/20 0.45
KDM4E B2RXH2 1/20 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
SCHEMBL2181151 0.85 BTK (0.45) SGK1CAMKK2BTKITKAXL
SCHEMBL8314581 0.84 SGK1 (0.62) SGK1CAMKK2BTKITKAXL
SCHEMBL24369420 0.77 SGK1 (0.67) SGK1CAMKK2AXLNEK1
SCHEMBL8313454 0.75 SGK1 (0.58) SGK1CAMKK2BTKITKAXL
SCHEMBL8320227 0.75 KIT (0.67) AAK1DYRK1AMAP3K11
SCHEMBL10607787 0.73 CA1 (0.61) KDM4E
SCHEMBL12829259 0.73 NTRK1 (0.66) SGK1AXLBRD4CLK1DYRK1A
SCHEMBL20408723 0.73 KIT (0.59) SGK1CAMKK2AXLBRD4CLK1
SCHEMBL8320542 0.73 DYRK1A (0.59) AXLBRD4AAK1CLK1DYRK1A
SCHEMBL1800807 0.72 AXL (0.73) SGK1CAMKK2AXLMAP3K11

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
EP-2295433-A2 JNK inhibitors Eisai R&D Management Co., Ltd. (JP) 2011-03-16 EP disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 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-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 SGK1 198/4885CAMKK2 94/4885BTK 2784/4885

“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.