SCHEMBL2681137

SCHEMBL2681137

Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc(N3CCOCC3)c(F)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRK5 P34947 16/20 0.57
▸ GRK2 P25098 14/20 0.57
▸ MET P08581 10/20 0.53
▸ KCNH2 Q12809 2/20 0.50
▸ ALK Q9UM73 1/20 0.49
▸ FLT3 P36888 1/20 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
SCHEMBL2680988 0.91 MET (0.51) GRK5GRK2METKCNH2ALK
SCHEMBL2682349 0.88 MET (0.59) GRK5GRK2METKCNH2ALK
SCHEMBL18472791 0.84 MET (0.57) GRK5GRK2METKCNH2FLT3
SCHEMBL18427715 0.83 MET (0.54) GRK5GRK2METKCNH2FLT3
SCHEMBL2681005 0.82 MET (0.56) GRK5GRK2METKCNH2ALK
SCHEMBL18427743 0.82 GRK5 (0.58) GRK5GRK2METKCNH2ALK
SCHEMBL2682031 0.82 GRK5 (0.60) GRK5GRK2METKCNH2ALK
SCHEMBL2681889 0.81 MET (0.53) GRK5GRK2METKCNH2FLT3
SCHEMBL2681745 0.80 MET (0.56) GRK5GRK2METKCNH2ALK
SCHEMBL2682091 0.80 MET (0.53) GRK5GRK2METKCNH2ALK

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
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 GRK5 510/4885GRK2 391/4885MET 3052/4885

“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.

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