SCHEMBL5570865

SCHEMBL5570865

Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc(F)ccc2n1-c1cccc(Cl)c1F

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.52
KCNH2 Q12809 2/20 0.51
GRK5 P34947 10/20 0.51
GRK2 P25098 8/20 0.51
ALK Q9UM73 2/20 0.51
JAK2 O60674 2/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
JAK3 P52333 1/20 0.51
MAP4K3 Q8IVH8 2/20 0.49
FLT3 P36888 2/20 0.49

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
SCHEMBL5570081 0.87 MET (0.53) METKCNH2GRK5GRK2ALK
SCHEMBL4407529 0.84 JAK2 (0.55) METKCNH2ALKJAK2JAK1
SCHEMBL4406161 0.82 JAK2 (0.52) METKCNH2GRK5GRK2ALK
SCHEMBL985759 0.82 JAK2 (0.52) METKCNH2GRK5GRK2ALK
SCHEMBL5565646 0.81 ACVR1 (0.49) JAK2JAK1TYK2JAK3
SCHEMBL987035 0.81 JAK2 (0.49) METKCNH2GRK5GRK2ALK
SCHEMBL5570233 0.80 MET (0.53) METKCNH2GRK5GRK2ALK
SCHEMBL986369 0.78 MET (0.48) METKCNH2ALKJAK2JAK1
SCHEMBL986373 0.78 MET (0.48) METKCNH2ALKJAK2JAK1
SCHEMBL4408528 0.76 JAK2 (0.54) METKCNH2GRK5GRK2ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MET 1/4885KCNH2 2833/4885GRK5 234/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 MET 1/4885KCNH2 2833/4885GRK5 234/4885

“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.