SCHEMBL2681319

SCHEMBL2681319

COc1ccc2nc(-c3cc(-c4cnn(C5CCN(C)CC5)c4)cnc3N)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 7/20 0.57
FGFR2 P21802 7/20 0.57
FGFR3 P22607 7/20 0.57
MET P08581 3/20 0.55
EGFR P00533 1/20 0.55
GRK5 P34947 6/20 0.53
GRK2 P25098 2/20 0.53
SLC2A1 P11166 2/20 0.51
MAP4K3 Q8IVH8 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
SCHEMBL2680963 0.91 GRK5 (0.64) FGFR1FGFR2FGFR3METGRK5
SCHEMBL4096428 0.87 EGFR (0.71) FGFR1FGFR2FGFR3METEGFR
SCHEMBL2681696 0.86 SLC2A1 (0.59) FGFR1FGFR2FGFR3METGRK5
SCHEMBL18427744 0.84 GRK5 (0.62) FGFR1FGFR2FGFR3METGRK5
SCHEMBL2387310 0.81 MET (0.80) METGRK5GRK2
SCHEMBL16404816 0.81 MET (0.51) FGFR1FGFR2FGFR3METEGFR
SCHEMBL4100509 0.80 SLC2A1 (0.57) FGFR1FGFR2FGFR3SLC2A1
SCHEMBL2681532 0.80 SLC2A1 (0.55) FGFR1FGFR2FGFR3METSLC2A1
SCHEMBL2384791 0.80 MET (0.72) METGRK5GRK2
SCHEMBL2681483 0.79 SLC2A1 (0.56) FGFR1FGFR2FGFR3GRK5GRK2

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 10 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-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
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 FGFR1 936/4885FGFR2 1733/4885FGFR3 1964/4885

“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.