SCHEMBL983243

SCHEMBL983243

Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnnn1-c1c(F)cccc1F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRK5 P34947 6/20 0.54
GRK2 P25098 5/20 0.54
ALK Q9UM73 1/20 0.54
MET P08581 7/20 0.53
KCNH2 Q12809 2/20 0.53
MAP4K3 Q8IVH8 7/20 0.52
FLT3 P36888 2/20 0.50
FGFR1 P11362 1/20 0.50
FGFR2 P21802 1/20 0.50
FGFR3 P22607 1/20 0.50
NTRK1 P04629 1/20 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
SCHEMBL985969 0.91 GRK5 (0.52) GRK5GRK2ALKMETKCNH2
SCHEMBL982891 0.91 MAP4K3 (0.56) ALKMETKCNH2MAP4K3FLT3
SCHEMBL987109 0.90 JAK2 (0.56) GRK5GRK2ALKMETKCNH2
SCHEMBL984708 0.89 MAP4K3 (0.55) ALKMETKCNH2MAP4K3FLT3
SCHEMBL986508 0.89 MAP4K3 (0.53) GRK5GRK2ALKMETKCNH2
SCHEMBL12538817 0.88 FGFR1 (0.59) GRK5GRK2ALKMETMAP4K3
SCHEMBL986964 0.88 GRK5 (0.49) GRK5GRK2ALKMETKCNH2
SCHEMBL982736 0.88 FGFR1 (0.53) GRK5GRK2ALKMETKCNH2
SCHEMBL986847 0.87 FGFR1 (0.52) GRK5GRK2ALKMETKCNH2
SCHEMBL986491 0.87 NTRK1 (0.54) GRK5GRK2ALKMETKCNH2

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 16 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
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US claimed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US claimed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US 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 GRK5 234/4885GRK2 174/4885ALK 23/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 GRK5 234/4885GRK2 174/4885ALK 23/4885

“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.