SCHEMBL10100642

SCHEMBL10100642

Nc1ncc(-c2ccncc2)cc1-c1nnnn1-c1ccc(OC2CCNCC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 4/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
IKBKB O14920 5/20 0.35
CHUK O15111 5/20 0.35
ROCK1 Q13464 4/20 0.35
LCK P06239 2/20 0.35
ACVR1 Q04771 3/20 0.35
TGFBR1 P36897 2/20 0.35
ROCK2 O75116 1/20 0.34
CDC42BPB Q9Y5S2 1/20 0.34
RIPK2 O43353 1/20 0.34
NOD2 Q9HC29 1/20 0.34
LRRK2 Q5S007 1/20 0.34
ATR Q13535 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
AKT1 P31749 1/20 0.33
PIM1 P11309 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
SCHEMBL10100643 0.92 MKNK1 (0.43) MAP4K3ALOX5APFEN1IKBKBCHUK
SCHEMBL10100795 0.92 MAP4K3 (0.35) MAP4K3ALOX5APFEN1MKNK1MKNK2
SCHEMBL10100381 0.88 MAP4K3 (0.42) MAP4K3LRRK2
SCHEMBL10100793 0.84 KCNN4 (0.38) MAP4K3MKNK1MKNK2
SCHEMBL10100796 0.83 MKNK1 (0.42) MAP4K3ALOX5APFEN1MKNK1MKNK2
SCHEMBL10100632 0.83 ALOX5AP (0.46) ALOX5APFEN1IKBKBCHUKROCK1
SCHEMBL10100792 0.81 EPHX2 (0.40) MAP4K3
SCHEMBL10100637 0.80 ALOX5AP (0.40) ALOX5APFEN1IKBKBCHUKROCK1
SCHEMBL10100791 0.79 FYN (0.39) MAP4K3
SCHEMBL10100705 0.79 LRRK2 (0.41) MAP4K3LRRK2

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 MAP4K3 164/4885ALOX5AP 4425/4885FEN1 1255/4885

“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.