SCHEMBL2680274

SCHEMBL2680274

CNC(=O)Cc1ccc2nc(-c3cc(-c4cnn(C)c4)cnc3N)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.56
SLC2A1 P11166 2/20 0.46
MST1R Q04912 2/20 0.45
MAP4K4 O95819 1/20 0.45
MAPK1 P28482 2/20 0.45
CDK1 P06493 2/20 0.43
CDK2 P24941 2/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
PDPK1 O15530 1/20 0.43
LRRK2 Q5S007 2/20 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
Trifluoroacetic Acid SCHEMBL1045539 0.94 MET (0.51) METSLC2A1MST1RMAP4K4MAPK1
SCHEMBL4100016 0.93 MET (0.54) METSLC2A1MST1RMAP4K4MAPK1
SCHEMBL16390736 0.91 MET (0.47) METSLC2A1MST1RMAP4K4MAPK1
SCHEMBL4101039 0.84 MAPK1 (0.46) METSLC2A1MST1RMAP4K4MAPK1
SCHEMBL2680705 0.84 CDK1 (0.53) METMAP4K4MAPK1CDK1CDK2
SCHEMBL2680723 0.83 MET (0.48) METSLC2A1MAP4K4MAPK1CDK1
SCHEMBL2681364 0.83 MAP4K4 (0.49) METSLC2A1MST1RMAP4K4MAPK1
SCHEMBL2681185 0.83 MET (0.54) METSLC2A1MST1RMAP4K4MAPK1
SCHEMBL2681943 0.82 MAP4K4 (0.62) METSLC2A1MAP4K4MAPK1CDK1
SCHEMBL2680251 0.81 MAP4K4 (0.52) METSLC2A1MAP4K4MAPK1CDK1

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
EP-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 EP claimed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US claimed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US claimed

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-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES PDK1, PDK2, PDK4 MET 3052/4885SLC2A1 890/4885MST1R 990/4885

“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.