SCHEMBL2682705

SCHEMBL2682705

Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 11/20 0.66
▸ GRK5 P34947 12/20 0.58
▸ GRK2 P25098 10/20 0.58
▸ FLT3 P36888 2/20 0.58
▸ KCNH2 Q12809 2/20 0.56
▸ MAP4K3 Q8IVH8 2/20 0.56
▸ ALK Q9UM73 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
SCHEMBL18427784 0.93 MET (0.68) METGRK5GRK2FLT3KCNH2
SCHEMBL2682031 0.90 GRK5 (0.60) METGRK5GRK2FLT3KCNH2
SCHEMBL992230 0.88 MET (0.67) METGRK5GRK2FLT3KCNH2
SCHEMBL2680963 0.87 GRK5 (0.64) METGRK5GRK2FLT3KCNH2
SCHEMBL2681173 0.87 GRK5 (0.58) METGRK5GRK2FLT3KCNH2
SCHEMBL2680979 0.87 GRK5 (0.56) METGRK5GRK2FLT3KCNH2
SCHEMBL2682349 0.85 MET (0.59) METGRK5GRK2FLT3KCNH2
SCHEMBL18427743 0.84 GRK5 (0.58) METGRK5GRK2FLT3KCNH2
SCHEMBL2680681 0.84 GRK5 (0.56) METGRK5GRK2FLT3KCNH2
SCHEMBL2680571 0.84 MET (0.54) METGRK5GRK2FLT3KCNH2

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 3052/4885GRK5 510/4885GRK2 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.

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