SCHEMBL2680686

SCHEMBL2680686

CC(O)(c1ccccc1)c1ccc2[nH]c(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.53
KCNH2 Q12809 2/20 0.53
GRK5 P34947 12/20 0.52
GRK2 P25098 8/20 0.51
FLT3 P36888 5/20 0.51
MAP4K3 Q8IVH8 2/20 0.49

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
SCHEMBL992072 0.86 PDPK1 (0.51) MET
SCHEMBL992230 0.84 MET (0.67) METKCNH2GRK5GRK2FLT3
SCHEMBL18472790 0.84 MET (0.56) METKCNH2GRK5GRK2FLT3
SCHEMBL2680979 0.83 GRK5 (0.56) METKCNH2GRK5GRK2FLT3
SCHEMBL18427743 0.83 GRK5 (0.58) METKCNH2GRK5GRK2FLT3
SCHEMBL18427784 0.82 MET (0.68) METKCNH2GRK5GRK2FLT3
SCHEMBL18427744 0.81 GRK5 (0.62) METKCNH2GRK5GRK2FLT3
SCHEMBL2681173 0.80 GRK5 (0.58) METKCNH2GRK5GRK2FLT3
SCHEMBL2681273 0.79 GRK5 (0.53) METKCNH2GRK5GRK2FLT3
SCHEMBL2681281 0.79 MET (0.53) METKCNH2GRK5GRK2FLT3

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
EP-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 EP claimed
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

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 3052/4885KCNH2 302/4885GRK5 510/4885

“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.