SCHEMBL1487612

SCHEMBL1487612

CN(C)c1ccc(-c2cnc3[nH]cc(I)c3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.67
MAPK9 P45984 1/20 0.67
MAPK10 P53779 1/20 0.67
MAP3K11 Q16584 2/20 0.56
NTRK1 P04629 2/20 0.51
DYRK1A Q13627 4/20 0.50
CLK1 P49759 2/20 0.50
DYRK2 Q92630 2/20 0.50
DYRK1B Q9Y463 2/20 0.50
BRD4 O60885 1/20 0.50
KIT P10721 5/20 0.49
AXL P30530 1/20 0.49
CDK8 P49336 1/20 0.49
TNIK Q9UKE5 1/20 0.49
GSK3B P49841 1/20 0.48
SGK1 O00141 1/20 0.44

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
SCHEMBL8320544 0.84 MAP3K11 (0.78) MAPK8MAPK9MAPK10MAP3K11NTRK1
SCHEMBL8321012 0.83 MAPK8 (0.63) MAPK8MAPK9MAPK10MAP3K11NTRK1
SCHEMBL13753917 0.83 MAPK8 (0.63) MAPK8MAPK9MAPK10MAP3K11NTRK1
SCHEMBL13620697 0.82 AXL (0.76) MAPK8MAPK9MAPK10MAP3K11NTRK1
SCHEMBL8298162 0.81 MAPK8 (0.72) MAPK8MAPK9MAPK10MAP3K11NTRK1
SCHEMBL12829259 0.81 NTRK1 (0.66) MAP3K11NTRK1DYRK1ACLK1DYRK2
SCHEMBL20408723 0.81 KIT (0.59) NTRK1DYRK1ACLK1DYRK2DYRK1B
SCHEMBL8320542 0.81 DYRK1A (0.59) MAP3K11NTRK1DYRK1ACLK1DYRK2
SCHEMBL8249652 0.81 MAPK8 (0.60) MAPK8MAPK9MAPK10MAP3K11NTRK1
SCHEMBL4200987 0.81 MAPK8 (0.60) MAPK8MAPK9MAPK10MAP3K11NTRK1

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 10 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
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-20060270646-A1 Jnk inhibitors EISAI CO., LTD. (JP) 2006-11-30 US disclosed
EP-1599475-A2 JNK INHIBITORS Eisai Co., Ltd. (JP) 2005-11-30 EP disclosed
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 WO 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 (2 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-20060270646-A1 Jnk inhibitors MAPKAPK2, MAPK1, MAPKAPK3 MAPK8 48/4885MAPK9 35/4885MAPK10 30/4885
US-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 MAPK8 50/4885MAPK9 43/4885MAPK10 31/4885

“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.