SCHEMBL2680259

SCHEMBL2680259

Cn1cc(-c2cnc(N)c(-c3nc4cc(C(OC(=O)C(F)(F)F)C(N)=O)ccc4[nH]3)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.44
LRRK2 Q5S007 2/20 0.41
MAP4K4 O95819 1/20 0.41
MST1R Q04912 2/20 0.39
CDK1 P06493 2/20 0.39
CDK2 P24941 2/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
PDPK1 O15530 1/20 0.39
MAPK1 P28482 7/20 0.39
SLC2A1 P11166 1/20 0.38
NPBWR1 P48145 1/20 0.38

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
SCHEMBL2681497 0.85 SLC2A1 (0.46) METLRRK2MAP4K4CDK1CDK2
SCHEMBL2681519 0.82 LRRK2 (0.51) METLRRK2MAP4K4MST1RCDK1
Trifluoroacetic Acid SCHEMBL992817 0.78 MET (0.51) METLRRK2MAP4K4MST1RCDK1
SCHEMBL2681185 0.77 MET (0.54) METLRRK2MAP4K4MST1RCDK1
SCHEMBL2681364 0.75 MAP4K4 (0.49) METLRRK2MAP4K4MST1RCDK1
SCHEMBL2682384 0.73 LRRK2 (0.49) METLRRK2MAP4K4CDK1CDK2
SCHEMBL2680942 0.73 CDK1 (0.70) METLRRK2MAP4K4CDK1CDK2
Trifluoroacetic Acid SCHEMBL2681709 0.73 MET (0.51) METMAP4K4CDK1CDK2MKNK1
SCHEMBL4095126 0.73 LRRK2 (0.44) METLRRK2MAP4K4MST1RCDK1
SCHEMBL4100016 0.73 MET (0.54) METLRRK2MAP4K4MST1RCDK1

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 2 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 disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US 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 582/4885MAP4K4 145/4885

“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.