SCHEMBL2681889

SCHEMBL2681889

COc1cc2[nH]c(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nc2cc1F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 7/20 0.53
▸ JAK2 O60674 2/20 0.53
▸ JAK1 P23458 2/20 0.53
▸ TYK2 P29597 2/20 0.53
▸ JAK3 P52333 2/20 0.53
▸ GRK5 P34947 9/20 0.53
▸ GRK2 P25098 7/20 0.53
▸ MAP4K3 Q8IVH8 3/20 0.52
▸ FGFR1 P11362 3/20 0.51
▸ FGFR2 P21802 3/20 0.51
▸ FGFR3 P22607 3/20 0.51
▸ KCNH2 Q12809 2/20 0.51
▸ FLT3 P36888 1/20 0.50

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
SCHEMBL18427715 0.97 MET (0.54) METJAK2JAK1TYK2JAK3
SCHEMBL2680681 0.94 GRK5 (0.56) METJAK2JAK1TYK2JAK3
SCHEMBL2682349 0.90 MET (0.59) METGRK5GRK2MAP4K3KCNH2
SCHEMBL18472791 0.87 MET (0.57) METGRK5GRK2FGFR1FGFR2
SCHEMBL18427744 0.85 GRK5 (0.62) METGRK5GRK2MAP4K3FGFR1
SCHEMBL2680963 0.85 GRK5 (0.64) METGRK5GRK2MAP4K3FGFR1
SCHEMBL2682031 0.84 GRK5 (0.60) METGRK5GRK2KCNH2FLT3
SCHEMBL18427743 0.84 GRK5 (0.58) METGRK5GRK2MAP4K3KCNH2
SCHEMBL2680695 0.82 MAP4K3 (0.59) METJAK2JAK1TYK2JAK3
SCHEMBL2680988 0.82 MET (0.51) METGRK5GRK2KCNH2FLT3

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
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 MET 3052/4885JAK2 67/4885JAK1 212/4885

“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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