SCHEMBL4095126

SCHEMBL4095126

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.44
MAP4K4 O95819 1/20 0.43
MET P08581 5/20 0.42
MST1R Q04912 1/20 0.42
CDK1 P06493 2/20 0.42
CDK2 P24941 2/20 0.42
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
MAPK1 P28482 2/20 0.42
PDPK1 O15530 1/20 0.42
FGFR2 P21802 2/20 0.41
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2681364 0.89 MAP4K4 (0.49) LRRK2MAP4K4METMST1RCDK1
SCHEMBL2681185 0.89 MET (0.54) LRRK2MAP4K4METMST1RCDK1
SCHEMBL4101039 0.86 MAPK1 (0.46) LRRK2MAP4K4METMST1RCDK1
SCHEMBL4100016 0.86 MET (0.54) LRRK2MAP4K4METMST1RCDK1
Trifluoroacetic Acid SCHEMBL992817 0.83 MET (0.51) LRRK2MAP4K4METMST1RCDK1
SCHEMBL4090329 0.82 PRMT5 (0.40) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2680532 0.81 PKN1 (0.53) LRRK2MAP4K4METCDK1CDK2
SCHEMBL991709 0.80 MET (0.59) METMST1RMAPK1
SCHEMBL16390901 0.80 SLC2A1 (0.49) LRRK2MAP4K4METCDK1CDK2
SCHEMBL16390736 0.80 MET (0.47) LRRK2MAP4K4METMST1RCDK1

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 LRRK2 582/4885MAP4K4 145/4885MET 3052/4885

“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.