SCHEMBL10100795

SCHEMBL10100795

Nc1ncc(-c2ccncc2)cc1-c1nnnn1-c1ccc(OC2CCCCC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 2/20 0.35
KCNN4 O15554 6/20 0.34
FYN P06241 1/20 0.33
CHEK2 O96017 1/20 0.33
PDE4A P27815 1/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
XDH P47989 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
PIK3CA P42336 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 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
SCHEMBL10100793 0.92 KCNN4 (0.38) MAP4K3KCNN4FYNMKNK1MKNK2
SCHEMBL10100642 0.92 MAP4K3 (0.36) MAP4K3ALOX5APFEN1MKNK1MKNK2
SCHEMBL10100796 0.92 MKNK1 (0.42) MAP4K3KCNN4FYNCHEK2PDE4A
SCHEMBL10100792 0.89 EPHX2 (0.40) MAP4K3KCNN4CHEK2PIK3CA
SCHEMBL10100705 0.87 LRRK2 (0.41) MAP4K3
SCHEMBL10100791 0.87 FYN (0.39) MAP4K3KCNN4FYNPIK3C3PIK3CA
SCHEMBL10100643 0.83 MKNK1 (0.43) MAP4K3FYNCHEK2ALOX5APFEN1
SCHEMBL10100632 0.83 ALOX5AP (0.46) ALOX5APFEN1
SCHEMBL10100414 0.82 FLT1 (0.38) MKNK1
SCHEMBL10100442 0.81 BMPR1B (0.37) FYNMKNK1

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 MAP4K3 164/4885KCNN4 4066/4885FYN 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.