SCHEMBL4408528

SCHEMBL4408528

Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nccn1-c1cccc(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.54
MAP4K3 Q8IVH8 8/20 0.53
MET P08581 7/20 0.51
KCNH2 Q12809 2/20 0.51
GRK5 P34947 4/20 0.49
GRK2 P25098 2/20 0.49
FLT3 P36888 1/20 0.49
PAK4 O96013 1/20 0.49
PAK1 Q13153 1/20 0.49
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR3 P22607 1/20 0.48
ALK Q9UM73 1/20 0.48

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
SCHEMBL982952 0.84 JAK2 (0.53) JAK2MAP4K3METKCNH2GRK5
SCHEMBL985882 0.81 JAK2 (0.51) JAK2MAP4K3METKCNH2GRK5
SCHEMBL985066 0.79 JAK2 (0.48) JAK2MAP4K3METKCNH2GRK5
SCHEMBL4406161 0.79 JAK2 (0.52) JAK2MAP4K3METKCNH2GRK5
SCHEMBL985064 0.79 JAK2 (0.48) JAK2MAP4K3METKCNH2GRK5
SCHEMBL985116 0.79 JAK2 (0.48) JAK2MAP4K3METKCNH2GRK5
SCHEMBL5570081 0.79 MET (0.53) JAK2MAP4K3METKCNH2GRK5
SCHEMBL4407529 0.78 JAK2 (0.55) JAK2MAP4K3METKCNH2FLT3
SCHEMBL986888 0.78 JAK2 (0.55) JAK2MAP4K3METKCNH2GRK5
SCHEMBL4404519 0.78 ACVR1 (0.54) JAK2

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 13 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
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP 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
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 WO 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 33/4885MAP4K3 122/4885MET 1/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 JAK2 33/4885MAP4K3 122/4885MET 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.