SCHEMBL10100632

SCHEMBL10100632

Nc1ncc(-c2ccccc2)cc1-c1nnnn1-c1ccc(OC2CCCNC2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.46
FEN1 P39748 3/20 0.46
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
CHEK1 O14757 7/20 0.40
PIM1 P11309 2/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
CDC42BPB Q9Y5S2 2/20 0.35
CDC42BPA Q5VT25 1/20 0.35
KCNH2 Q12809 1/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ATR Q13535 1/20 0.34

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
SCHEMBL10100793 0.90 KCNN4 (0.38)
SCHEMBL10100641 0.89 CHEK1 (0.42) ALOX5APFEN1CHEK1PIM1PIM3
SCHEMBL10100637 0.89 ALOX5AP (0.40) ALOX5APFEN1IKBKBCHUKCHEK1
SCHEMBL10100636 0.89 ALOX5AP (0.40) ALOX5APFEN1IKBKBCHUKCHEK1
SCHEMBL10100631 0.84 ACHE (0.36)
SCHEMBL10100643 0.83 MKNK1 (0.43) ALOX5APFEN1IKBKBCHUKPIM1
SCHEMBL10100642 0.83 MAP4K3 (0.36) ALOX5APFEN1IKBKBCHUKPIM1
SCHEMBL10100796 0.83 MKNK1 (0.42) ALOX5APFEN1
SCHEMBL10100795 0.83 MAP4K3 (0.35) ALOX5APFEN1
SCHEMBL10100381 0.79 MAP4K3 (0.42)

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 ALOX5AP 4425/4885FEN1 1255/4885IKBKB 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.