SCHEMBL8320544

SCHEMBL8320544

CN(C)c1ccc(-c2cnc3[nH]cc(I)c3c2)cn1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 4/20 0.78
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
BRD4 O60885 1/20 0.49
TDO2 P48775 1/20 0.49
DYRK1A Q13627 5/20 0.46
CLK1 P49759 2/20 0.46
DYRK2 Q92630 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
APP P05067 1/20 0.45
AXL P30530 1/20 0.44
CDK8 P49336 1/20 0.44
TNIK Q9UKE5 1/20 0.44
NTRK1 P04629 1/20 0.44
KIT P10721 2/20 0.44
CYP2C9 P11712 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
SCHEMBL720820 0.87 MAP3K11 (1.00) MAP3K11MAPK8MAPK9MAPK10TDO2
SCHEMBL1487612 0.84 MAPK8 (0.67) MAP3K11MAPK8MAPK9MAPK10BRD4
SCHEMBL8313453 0.81 MAP3K11 (0.81) MAP3K11MAPK8MAPK9MAPK10TDO2
SCHEMBL15779335 0.78 MAP3K11 (0.62) MAP3K11BRD4TDO2DYRK1AKIT
SCHEMBL720833 0.77 MAP3K11 (0.74) MAP3K11MAPK8MAPK9MAPK10TDO2
SCHEMBL721195 0.77 MAP3K11 (1.00) MAP3K11MAPK8MAPK9MAPK10DYRK1A
SCHEMBL20408723 0.77 KIT (0.59) BRD4DYRK1ACLK1DYRK2DYRK1B
SCHEMBL12829259 0.77 NTRK1 (0.66) MAP3K11BRD4DYRK1ACLK1DYRK2
SCHEMBL8320542 0.77 DYRK1A (0.59) MAP3K11BRD4DYRK1ACLK1DYRK2
SCHEMBL1800807 0.76 AXL (0.73) MAP3K11AXLCDK8TNIKNTRK1

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-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 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 MAP3K11 23/4885MAPK8 50/4885MAPK9 43/4885

“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.