SCHEMBL2680963

SCHEMBL2680963

COc1ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRK5 P34947 13/20 0.64
GRK2 P25098 7/20 0.64
MAP4K3 Q8IVH8 2/20 0.59
FGFR1 P11362 2/20 0.57
FGFR2 P21802 2/20 0.57
FGFR3 P22607 2/20 0.57
MET P08581 7/20 0.57
FLT3 P36888 2/20 0.56
KCNH2 Q12809 2/20 0.54

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
SCHEMBL18427744 0.93 GRK5 (0.62) GRK5GRK2MAP4K3FGFR1FGFR2
SCHEMBL2681319 0.91 FGFR1 (0.57) GRK5GRK2MAP4K3FGFR1FGFR2
SCHEMBL2680681 0.89 GRK5 (0.56) GRK5GRK2MAP4K3FGFR1FGFR2
SCHEMBL2682031 0.88 GRK5 (0.60) GRK5GRK2METFLT3KCNH2
SCHEMBL2682705 0.87 MET (0.66) GRK5GRK2MAP4K3METFLT3
SCHEMBL2680979 0.86 GRK5 (0.56) GRK5GRK2METFLT3KCNH2
SCHEMBL992230 0.86 MET (0.67) GRK5GRK2MAP4K3METFLT3
SCHEMBL18427715 0.85 MET (0.54) GRK5GRK2MAP4K3FGFR1FGFR2
SCHEMBL2681889 0.85 MET (0.53) GRK5GRK2MAP4K3FGFR1FGFR2
SCHEMBL2680900 0.85 GRK5 (0.61) GRK5GRK2MAP4K3MET

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
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 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.