SCHEMBL4100016

SCHEMBL4100016

CNC(=O)Cc1ccc2[nH]c(-c3cc(-c4cnn(C)c4)cnc3N)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.54
LRRK2 Q5S007 2/20 0.45
MAP4K4 O95819 1/20 0.45
MAPK1 P28482 4/20 0.45
MST1R Q04912 2/20 0.43
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
SLC2A1 P11166 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
SCHEMBL2680274 0.93 MET (0.56) METLRRK2MAP4K4MAPK1MST1R
SCHEMBL4101039 0.91 MAPK1 (0.46) METLRRK2MAP4K4MAPK1MST1R
SCHEMBL2681185 0.90 MET (0.54) METLRRK2MAP4K4MAPK1MST1R
SCHEMBL2681364 0.90 MAP4K4 (0.49) METLRRK2MAP4K4MAPK1MST1R
Trifluoroacetic Acid SCHEMBL1045539 0.88 MET (0.51) METMAP4K4MAPK1MST1RCDK1
SCHEMBL991709 0.86 MET (0.59) METMAPK1MST1R
SCHEMBL4095126 0.86 LRRK2 (0.44) METLRRK2MAP4K4MAPK1MST1R
Trifluoroacetic Acid SCHEMBL992817 0.85 MET (0.51) METLRRK2MAP4K4MAPK1MST1R
SCHEMBL16390736 0.84 MET (0.47) METLRRK2MAP4K4MAPK1MST1R
SCHEMBL2682384 0.78 LRRK2 (0.49) METLRRK2MAP4K4CDK1CDK2

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 6 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 disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
WO-2011006567-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2011-01-20 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-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES PDK1, PDK2, PDK4 MET 3052/4885LRRK2 582/4885MAP4K4 145/4885

“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.