SCHEMBL2680681

SCHEMBL2680681

COc1cc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)[nH]c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRK5 P34947 7/20 0.56
▸ GRK2 P25098 6/20 0.56
▸ MAP4K3 Q8IVH8 5/20 0.56
▸ FGFR1 P11362 3/20 0.55
▸ FGFR2 P21802 3/20 0.55
▸ FGFR3 P22607 3/20 0.55
▸ MET P08581 7/20 0.54
▸ KCNH2 Q12809 2/20 0.54
▸ FLT3 P36888 1/20 0.54
▸ JAK2 O60674 2/20 0.53
▸ JAK1 P23458 1/20 0.53
▸ TYK2 P29597 1/20 0.53
▸ JAK3 P52333 1/20 0.53

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
SCHEMBL2681889 0.94 MET (0.53) GRK5GRK2MAP4K3FGFR1FGFR2
SCHEMBL18427715 0.93 MET (0.54) GRK5GRK2MAP4K3FGFR1FGFR2
SCHEMBL18427744 0.89 GRK5 (0.62) GRK5GRK2MAP4K3FGFR1FGFR2
SCHEMBL2680963 0.89 GRK5 (0.64) GRK5GRK2MAP4K3FGFR1FGFR2
SCHEMBL2682349 0.87 MET (0.59) GRK5GRK2MAP4K3METKCNH2
SCHEMBL2680695 0.86 MAP4K3 (0.59) GRK5GRK2MAP4K3FGFR1FGFR2
SCHEMBL18472791 0.86 MET (0.57) GRK5GRK2FGFR1FGFR2FGFR3
SCHEMBL18472790 0.85 MET (0.56) GRK5GRK2FGFR1FGFR2FGFR3
SCHEMBL2680571 0.85 MET (0.54) GRK5GRK2MAP4K3FGFR1FGFR2
SCHEMBL2681005 0.85 MET (0.56) GRK5GRK2MAP4K3METKCNH2

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 GRK5 510/4885GRK2 391/4885MAP4K3 103/4885

“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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