SCHEMBL4096428

SCHEMBL4096428

CN1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5[nH]4)c3)cn2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.71
PDPK1 O15530 1/20 0.58
CDK1 P06493 1/20 0.58
CDK2 P24941 1/20 0.58
MKNK1 Q9BUB5 1/20 0.58
MKNK2 Q9HBH9 1/20 0.58
MET P08581 16/20 0.57
KCNH2 Q12809 2/20 0.53
FGFR1 P11362 1/20 0.50
FGFR2 P21802 1/20 0.50
FGFR3 P22607 1/20 0.50
NTRK1 P04629 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
SCHEMBL992230 0.89 MET (0.67) EGFRPDPK1CDK1CDK2MKNK1
SCHEMBL2681319 0.87 FGFR1 (0.57) EGFRMETFGFR1FGFR2FGFR3
SCHEMBL2681566 0.84 MET (0.58) EGFRPDPK1CDK1CDK2MKNK1
SCHEMBL2680942 0.84 CDK1 (0.70) EGFRPDPK1CDK1CDK2MKNK1
SCHEMBL4040666 0.83 EGFR (1.00) EGFRFGFR1FGFR2FGFR3
SCHEMBL16390864 0.83 EGFR (0.51) EGFRPDPK1CDK1CDK2MKNK1
SCHEMBL2681930 0.80 EGFR (0.48) EGFRMETFGFR1FGFR2FGFR3
SCHEMBL2384821 0.80 MET (0.57) EGFRMETKCNH2FGFR1FGFR2
SCHEMBL2385279 0.80 MET (0.80) METKCNH2
SCHEMBL16404816 0.79 MET (0.51) EGFRMETFGFR1FGFR2FGFR3

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 2 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 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 EGFR 2015/4885PDPK1 14/4885CDK1 15/4885

“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.