SCHEMBL4407908

SCHEMBL4407908

CC(C)N1CCC(n2cc(-c3cnc(N)c(-c4nncn4-c4cccc(Cl)c4F)c3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.44
MET P08581 11/20 0.42
JAK1 P23458 3/20 0.42
JAK3 P52333 3/20 0.42
BTK Q06187 2/20 0.42
ALK Q9UM73 4/20 0.41
TYK2 P29597 2/20 0.41
AXL P30530 3/20 0.41
MERTK Q12866 2/20 0.41
MST1R Q04912 2/20 0.40
NTRK1 P04629 2/20 0.40
MAP4K3 Q8IVH8 2/20 0.40
NUDT1 P36639 1/20 0.40
BMPR1B O00238 1/20 0.40
PLK4 O00444 1/20 0.40
RIOK3 O14730 1/20 0.40
IKBKB O14920 1/20 0.40
CASK O14936 1/20 0.40
AURKA O14965 1/20 0.40
DCLK1 O15075 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
SCHEMBL4406089 0.90 MET (0.42) JAK2METJAK1JAK3BTK
SCHEMBL4408976 0.89 BTK (0.42) JAK2METJAK1JAK3BTK
SCHEMBL4407587 0.88 MET (0.53) METMAP3K7
SCHEMBL4406299 0.88 BTK (0.43) JAK2METBTKALKMAP4K3
SCHEMBL4406161 0.88 JAK2 (0.52) JAK2METJAK1JAK3BTK
SCHEMBL4407709 0.87 FGFR1 (0.52) JAK2METBTKFGFR3
SCHEMBL27918481 0.86 MET (0.54) METBTKMAP3K7
SCHEMBL4408232 0.79 FGFR1 (0.52) METBTKFGFR3
SCHEMBL988291 0.79 MET (0.43) JAK2METBTKAXLMERTK
SCHEMBL986358 0.78 BTK (0.44) JAK2METJAK1JAK3BTK

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN claimed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 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 (2 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 JAK2 33/4885MET 1/4885JAK1 133/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 JAK2 33/4885MET 1/4885JAK1 133/4885

“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.