SCHEMBL10100804

SCHEMBL10100804

Nc1ncc(-c2cnn(C3CCOCC3)c2)cc1-c1nnnn1-c1ccc(OCCC2CCCC2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.43
JAK2 O60674 6/20 0.43
JAK1 P23458 2/20 0.43
JAK3 P52333 2/20 0.43
MAP4K3 Q8IVH8 3/20 0.40
AXL P30530 3/20 0.39
MERTK Q12866 2/20 0.39
ABL1 P00519 1/20 0.36
RET P07949 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
EPHA2 P29317 1/20 0.36
MST1R Q04912 1/20 0.36
TYK2 P29597 1/20 0.36
GRK2 P25098 1/20 0.36
GRK5 P34947 1/20 0.36

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
SCHEMBL10100665 0.91 MET (0.41) METJAK2JAK1JAK3MAP4K3
SCHEMBL10100667 0.90 MET (0.41) METJAK2JAK1JAK3MAP4K3
SCHEMBL10100465 0.89 JAK2 (0.45) METJAK2JAK1JAK3AXL
SCHEMBL10100693 0.89 MET (0.42) METJAK2JAK1JAK3AXL
SCHEMBL10100691 0.88 MET (0.42) METJAK2JAK1JAK3AXL
SCHEMBL10100698 0.88 MET (0.42) METJAK2JAK1JAK3AXL
SCHEMBL10100692 0.88 MET (0.42) METJAK2JAK1JAK3AXL
SCHEMBL10100696 0.88 MET (0.41) METJAK2JAK1JAK3AXL
SCHEMBL15214061 0.88 LRRK2 (0.39) METAXLMERTKFGFR1
SCHEMBL10100697 0.88 MET (0.42) METJAK2JAK1JAK3AXL

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 MET 1/4885JAK2 59/4885JAK1 161/4885

“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.