SCHEMBL4101039

SCHEMBL4101039

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.46
MET P08581 8/20 0.45
MST1R Q04912 2/20 0.45
LRRK2 Q5S007 1/20 0.44
MAP4K4 O95819 1/20 0.43
SLC2A1 P11166 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
PDPK1 O15530 1/20 0.42

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
SCHEMBL16390736 0.93 MET (0.47) MAPK1METMST1RLRRK2MAP4K4
SCHEMBL4100016 0.91 MET (0.54) MAPK1METMST1RLRRK2MAP4K4
SCHEMBL2681185 0.89 MET (0.54) MAPK1METMST1RLRRK2MAP4K4
SCHEMBL2681364 0.89 MAP4K4 (0.49) MAPK1METMST1RLRRK2MAP4K4
SCHEMBL991709 0.88 MET (0.59) MAPK1METMST1R
SCHEMBL4095126 0.86 LRRK2 (0.44) MAPK1METMST1RLRRK2MAP4K4
SCHEMBL2680274 0.84 MET (0.56) MAPK1METMST1RLRRK2MAP4K4
Trifluoroacetic Acid SCHEMBL992817 0.83 MET (0.51) MAPK1METMST1RLRRK2MAP4K4
Trifluoroacetic Acid SCHEMBL1045539 0.80 MET (0.51) MAPK1METMST1RMAP4K4SLC2A1
SCHEMBL1079168 0.79 PIK3CG (0.50) MAPK1METLRRK2MAP4K4CDK1

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 MAPK1 200/4885MET 3052/4885MST1R 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.