SCHEMBL2680988

SCHEMBL2680988

CN1CCN(c2cc3nc(-c4cc(-c5cnn(C6CCNCC6)c5)cnc4N)[nH]c3cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 12/20 0.51
▸ KCNH2 Q12809 2/20 0.48
▸ GRK2 P25098 14/20 0.48
▸ GRK5 P34947 14/20 0.48
▸ ALK Q9UM73 1/20 0.48
▸ FLT3 P36888 2/20 0.47
▸ NTRK1 P04629 1/20 0.46

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
SCHEMBL2681137 0.91 GRK5 (0.57) METKCNH2GRK2GRK5ALK
SCHEMBL16390919 0.88 MET (0.44) METKCNH2GRK2GRK5ALK
SCHEMBL2682349 0.88 MET (0.59) METKCNH2GRK2GRK5ALK
SCHEMBL18472791 0.86 MET (0.57) METKCNH2GRK2GRK5FLT3
SCHEMBL18427715 0.85 MET (0.54) METKCNH2GRK2GRK5FLT3
SCHEMBL2681889 0.82 MET (0.53) METKCNH2GRK2GRK5FLT3
SCHEMBL18427743 0.82 GRK5 (0.58) METKCNH2GRK2GRK5ALK
SCHEMBL2682031 0.82 GRK5 (0.60) METKCNH2GRK2GRK5ALK
SCHEMBL2680681 0.81 GRK5 (0.56) METKCNH2GRK2GRK5FLT3
SCHEMBL2680571 0.79 MET (0.54) METKCNH2GRK2GRK5ALK

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 7 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-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 3052/4885KCNH2 302/4885GRK2 391/4885

“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.

Send feedback