SCHEMBL992891

SCHEMBL992891

Cn1cc(-c2cnc(N)c(-c3nc4cccc(CCO)c4[nH]3)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.48
LRRK2 Q5S007 3/20 0.44
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
MAP4K4 O95819 1/20 0.43
MAPK1 P28482 7/20 0.41
IRAK1 P51617 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL4088788 0.92 MET (0.50) METLRRK2CDK1CDK2MKNK1
SCHEMBL2680242 0.84 MET (0.53) METLRRK2CDK1CDK2MKNK1
SCHEMBL2680541 0.83 MET (0.53) METLRRK2CDK1CDK2MKNK1
SCHEMBL992893 0.82 MET (0.49) METLRRK2CDK1CDK2MKNK1
SCHEMBL2680942 0.79 CDK1 (0.70) METLRRK2CDK1CDK2MKNK1
SCHEMBL1045915 0.75 MAP4K4 (0.52) METLRRK2MAP4K4MAPK1
SCHEMBL16390689 0.74 LRRK2 (0.46) METLRRK2CDK1CDK2MKNK1
SCHEMBL2681942 0.73 LRRK2 (0.49) METLRRK2CDK1CDK2MKNK1
SCHEMBL2680723 0.73 MET (0.48) METLRRK2CDK1CDK2MKNK1
SCHEMBL2680389 0.73 CDK1 (0.52) METLRRK2CDK1CDK2MKNK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 EP disclosed
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-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
EP-2454253-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES Merck Patent GmbH (DE) 2012-05-23 EP 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
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
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 582/4885CDK1 15/4885

“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.