SCHEMBL10100643

SCHEMBL10100643

Nc1ncc(-c2cccnc2)cc1-c1nnnn1-c1ccc(OC2CCNCC2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.43
MKNK2 Q9HBH9 4/20 0.43
IKBKB O14920 4/20 0.37
CHUK O15111 4/20 0.37
ROCK1 Q13464 4/20 0.37
LCK P06239 2/20 0.37
FYN P06241 1/20 0.37
MAP4K3 Q8IVH8 2/20 0.37
MET P08581 2/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ROCK2 O75116 2/20 0.35
CDC42BPB Q9Y5S2 2/20 0.35
CHEK2 O96017 1/20 0.35
LRRK2 Q5S007 1/20 0.34
PIM1 P11309 1/20 0.34
TBK1 Q9UHD2 1/20 0.33
CDC42BPA Q5VT25 1/20 0.33

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
SCHEMBL10100796 0.92 MKNK1 (0.42) MKNK1MKNK2FYNMAP4K3ALOX5AP
SCHEMBL10100642 0.92 MAP4K3 (0.36) MKNK1MKNK2IKBKBCHUKROCK1
SCHEMBL10100381 0.86 MAP4K3 (0.42) MAP4K3METLRRK2
SCHEMBL10100793 0.84 KCNN4 (0.38) MKNK1MKNK2FYNMAP4K3
SCHEMBL10100795 0.83 MAP4K3 (0.35) MKNK1MKNK2FYNMAP4K3ALOX5AP
SCHEMBL10100632 0.83 ALOX5AP (0.46) IKBKBCHUKROCK1ALOX5APFEN1
SCHEMBL10100631 0.80 ACHE (0.36) MKNK1MKNK2FYNLRRK2
SCHEMBL10100791 0.78 FYN (0.39) FYNMAP4K3
SCHEMBL10100792 0.78 EPHX2 (0.40) MAP4K3CHEK2
SCHEMBL10100705 0.78 LRRK2 (0.41) MAP4K3METLRRK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 MKNK1 154/4885MKNK2 182/4885IKBKB 471/4885

“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.