SCHEMBL2681566

SCHEMBL2681566

CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5[nH]4)c3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.58
EGFR P00533 1/20 0.53
TNK2 Q07912 1/20 0.49
CDK1 P06493 2/20 0.48
CDK2 P24941 2/20 0.48
MKNK1 Q9BUB5 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
PDPK1 O15530 1/20 0.48
KCNH2 Q12809 2/20 0.47

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
SCHEMBL16390864 0.89 EGFR (0.51) METEGFRCDK1CDK2MKNK1
SCHEMBL3950078 0.86 EGFR (0.72) EGFRTNK2
SCHEMBL23502604 0.86 MET (0.54) METEGFRTNK2
SCHEMBL4096428 0.84 EGFR (0.71) METEGFRCDK1CDK2MKNK1
SCHEMBL2748620 0.83 MET (0.58) METTNK2
SCHEMBL2385009 0.83 MET (0.83) METKCNH2
SCHEMBL2385062 0.83 MET (0.58) METTNK2KCNH2
SCHEMBL992230 0.83 MET (0.67) METEGFRCDK1CDK2MKNK1
SCHEMBL2750717 0.82 TNK2 (0.56) METTNK2
SCHEMBL2747719 0.81 MET (0.64) METTNK2KCNH2

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 3052/4885EGFR 2015/4885TNK2 814/4885

“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.