SCHEMBL5570233

SCHEMBL5570233

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.53
KCNH2 Q12809 2/20 0.53
GRK5 P34947 11/20 0.52
GRK2 P25098 8/20 0.52
FLT3 P36888 3/20 0.51
ALK Q9UM73 1/20 0.48
MAP4K3 Q8IVH8 1/20 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
SCHEMBL5570081 0.93 MET (0.53) METKCNH2GRK5GRK2FLT3
SCHEMBL985969 0.80 GRK5 (0.52) METKCNH2GRK5GRK2FLT3
SCHEMBL5570865 0.80 MET (0.52) METKCNH2GRK5GRK2FLT3
SCHEMBL986964 0.79 GRK5 (0.49) METKCNH2GRK5GRK2FLT3
SCHEMBL4407529 0.76 JAK2 (0.55) METKCNH2FLT3ALKMAP4K3
SCHEMBL4408460 0.76 MET (0.53) METKCNH2GRK5GRK2FLT3
SCHEMBL985847 0.76 GRK5 (0.47) METKCNH2GRK5GRK2FLT3
SCHEMBL984834 0.76 GRK5 (0.47) METKCNH2GRK5GRK2FLT3
SCHEMBL984830 0.76 GRK5 (0.47) METKCNH2GRK5GRK2FLT3
SCHEMBL2747708 0.76 MET (0.59) METKCNH2GRK5GRK2FLT3

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.