SCHEMBL10100636

SCHEMBL10100636

Nc1ncc(-c2ccoc2)cc1-c1nnnn1-c1ccc(OC2CCCNC2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
FYN P06241 1/20 0.36
CHEK1 O14757 5/20 0.35
ROCK1 Q13464 4/20 0.34
ROCK2 O75116 3/20 0.34
CDC42BPB Q9Y5S2 2/20 0.34
CDC42BPA Q5VT25 1/20 0.34
PRKCZ Q05513 1/20 0.34
KCNH2 Q12809 1/20 0.33
ATR Q13535 2/20 0.33
BCL9 O00512 2/20 0.33
CTNNB1 P35222 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
MAP4K3 Q8IVH8 1/20 0.31

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
SCHEMBL10100791 0.91 FYN (0.39) FYNMAP4K3
SCHEMBL10100632 0.89 ALOX5AP (0.46) ALOX5APFEN1CHEK1ROCK1ROCK2
SCHEMBL10100641 0.87 CHEK1 (0.42) ALOX5APFEN1CHEK1ATRMAP4K3
SCHEMBL10100637 0.87 ALOX5AP (0.40) ALOX5APFEN1CHEK1ROCK1ROCK2
SCHEMBL10100793 0.79 KCNN4 (0.38) FYNCDK2MAP4K3
SCHEMBL10100642 0.79 MAP4K3 (0.36) ALOX5APFEN1ROCK1ROCK2CDC42BPB
SCHEMBL10100795 0.79 MAP4K3 (0.35) ALOX5APFEN1FYNMAP4K3
SCHEMBL10100643 0.78 MKNK1 (0.43) ALOX5APFEN1FYNROCK1ROCK2
SCHEMBL10100796 0.77 MKNK1 (0.42) ALOX5APFEN1FYNMAP4K3
SCHEMBL10100381 0.77 MAP4K3 (0.42) MAP4K3

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 1255/4885FYN 532/4885

“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.