SCHEMBL10100796

SCHEMBL10100796

Nc1ncc(-c2cccnc2)cc1-c1nnnn1-c1ccc(OC2CCCCC2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.42
MKNK2 Q9HBH9 3/20 0.42
CYP11B2 P19099 3/20 0.38
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 2/20 0.38
FYN P06241 1/20 0.38
PDE4A P27815 1/20 0.37
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
CHEK2 O96017 1/20 0.36
MYLK Q15746 1/20 0.35
KCNN4 O15554 2/20 0.35
JAK2 O60674 2/20 0.34
MAP4K3 Q8IVH8 1/20 0.34
TBK1 Q9UHD2 2/20 0.34
IKBKE Q14164 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HCRTR1 O43613 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
SCHEMBL10100793 0.92 KCNN4 (0.38) MKNK1MKNK2FYNKCNN4MAP4K3
SCHEMBL10100643 0.92 MKNK1 (0.43) MKNK1MKNK2FYNCHEK2MAP4K3
SCHEMBL10100795 0.92 MAP4K3 (0.35) MKNK1MKNK2FYNPDE4ACHEK2
SCHEMBL10100792 0.86 EPHX2 (0.40) CHEK2KCNN4MAP4K3
SCHEMBL10100791 0.86 FYN (0.39) FYNKCNN4MAP4K3
SCHEMBL10100705 0.86 LRRK2 (0.41) MAP4K3
SCHEMBL10100642 0.83 MAP4K3 (0.36) MKNK1MKNK2MAP4K3ALOX5APFEN1
SCHEMBL10100632 0.83 ALOX5AP (0.46) ALOX5APFEN1
SCHEMBL10100631 0.81 ACHE (0.36) MKNK1MKNK2FYNKCNN4JAK2
SCHEMBL985504 0.78 FYN (0.46) FYNCHEK2KCNN4

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-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

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 182/4885CYP11B2 2124/4885

“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.