SCHEMBL12574166

SCHEMBL12574166

CC(c1cc(F)ccc1F)N1CCNc2ncc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.46
MET P08581 2/20 0.46
ALK Q9UM73 7/20 0.46
KCNH2 Q12809 3/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PLK4 O00444 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
ROS1 P08922 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
FER P16591 1/20 0.40
FGFR3 P22607 1/20 0.40
LTK P29376 1/20 0.40

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
SCHEMBL1600276 0.92 KCNH2 (0.45) NTRK1METALKKCNH2MEN1
SCHEMBL1601577 0.85 ALK (0.45) NTRK1METALKKCNH2MEN1
SCHEMBL1601049 0.82 ALK (0.47) NTRK1METALKKCNH2MEN1
SCHEMBL12062633 0.82 ALK (0.54) METALK
SCHEMBL1601026 0.80 ALK (0.70) NTRK1METALKPLK4JAK2
SCHEMBL1601921 0.80 ALK (0.71) METALK
SCHEMBL1601923 0.80 ALK (0.71) METALK
SCHEMBL19908335 0.78 ALK (0.45) NTRK1ALKKCNH2
SCHEMBL1601286 0.77 MET (0.43) NTRK1METALKKCNH2MEN1
SCHEMBL3849023 0.77 ALK (0.55) METALKMEN1KMT2A

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-20110160204-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2011-06-30 US disclosed
US-20110160204-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2011-06-30 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-20110160204-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET NTRK1 51/4885MET 2/4885ALK 1/4885

“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.