SCHEMBL5570081

SCHEMBL5570081

Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cccnc2n1-c1cccc(Cl)c1F

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.53
KCNH2 Q12809 2/20 0.53
FLT3 P36888 3/20 0.50
JAK2 O60674 2/20 0.49
MAP4K3 Q8IVH8 2/20 0.49
GRK5 P34947 9/20 0.48
GRK2 P25098 6/20 0.48
ALK Q9UM73 2/20 0.47

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
SCHEMBL5570233 0.93 MET (0.53) METKCNH2FLT3MAP4K3GRK5
SCHEMBL5570865 0.87 MET (0.52) METKCNH2FLT3JAK2MAP4K3
SCHEMBL4407529 0.83 JAK2 (0.55) METKCNH2FLT3JAK2MAP4K3
SCHEMBL985759 0.81 JAK2 (0.52) METKCNH2JAK2MAP4K3GRK5
SCHEMBL4406161 0.81 JAK2 (0.52) METKCNH2FLT3JAK2MAP4K3
SCHEMBL5570216 0.81 ACVR1 (0.57) JAK2
SCHEMBL987035 0.80 JAK2 (0.49) METKCNH2JAK2MAP4K3GRK5
SCHEMBL4408528 0.79 JAK2 (0.54) METKCNH2FLT3JAK2MAP4K3
SCHEMBL986369 0.77 MET (0.48) METKCNH2JAK2MAP4K3ALK
SCHEMBL986373 0.77 MET (0.48) METKCNH2JAK2MAP4K3ALK

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
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 MET 1/4885KCNH2 2833/4885FLT3 37/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 MET 1/4885KCNH2 2833/4885FLT3 37/4885

“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.