SCHEMBL2680902

SCHEMBL2680902

Cc1cccc2nc(-c3cc(-c4cnn(CCC(C)C)c4)cnc3N)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.44
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
LRRK2 Q5S007 3/20 0.41
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
NTRK1 P04629 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
MAPK1 P28482 3/20 0.35
JAK2 O60674 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL2680425 0.91 CDK1 (0.43) METCDK1CDK2MKNK1MKNK2
SCHEMBL2680242 0.85 MET (0.53) METCDK1CDK2MKNK1MKNK2
SCHEMBL2681494 0.84 IKBKE (0.46) METCDK1CDK2MKNK1MKNK2
SCHEMBL2680849 0.76 MET (0.60) MET
SCHEMBL2680527 0.75 CDK1 (0.64) METCDK1CDK2MKNK1MKNK2
SCHEMBL992893 0.75 MET (0.49) METCDK1CDK2MKNK1MKNK2
SCHEMBL2680641 0.74 CDK1 (0.53) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2680541 0.74 MET (0.53) METCDK1CDK2MKNK1MKNK2
SCHEMBL4088788 0.74 MET (0.50) METCDK1CDK2MKNK1MKNK2
SCHEMBL992891 0.72 MET (0.48) METCDK1CDK2MKNK1MKNK2

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 8 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
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 3052/4885CDK1 15/4885CDK2 10/4885

“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.