SCHEMBL986517

SCHEMBL986517

Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnnn1-c1cc(F)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.56
JAK2 O60674 5/20 0.56
JAK3 P52333 3/20 0.56
JAK1 P23458 2/20 0.56
TYK2 P29597 2/20 0.56
MAP4K3 Q8IVH8 5/20 0.52
MET P08581 10/20 0.51
AXL P30530 3/20 0.51
MST1R Q04912 3/20 0.51
NTRK1 P04629 3/20 0.50
GRK5 P34947 2/20 0.50
PLK4 O00444 2/20 0.50
AURKA O14965 2/20 0.50
DCLK1 O15075 2/20 0.50
PRKD3 O94806 2/20 0.50
ABL1 P00519 2/20 0.50
INSR P06213 2/20 0.50
LCK P06239 2/20 0.50
FES P07332 2/20 0.50
CSF1R P07333 2/20 0.50

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
SCHEMBL987452 0.92 MET (0.57) ALKJAK2JAK3JAK1TYK2
SCHEMBL986491 0.92 NTRK1 (0.54) ALKJAK2JAK3JAK1TYK2
SCHEMBL986648 0.89 MET (0.53) ALKJAK2JAK3JAK1TYK2
SCHEMBL985759 0.89 JAK2 (0.52) ALKJAK2JAK3JAK1TYK2
SCHEMBL988275 0.88 MET (0.57) ALKJAK2JAK3JAK1TYK2
SCHEMBL988282 0.88 JAK2 (0.59) ALKJAK2JAK3JAK1TYK2
SCHEMBL986508 0.87 MAP4K3 (0.53) ALKJAK2JAK3JAK1TYK2
SCHEMBL984708 0.87 MAP4K3 (0.55) ALKJAK2JAK3JAK1TYK2
SCHEMBL12539023 0.87 MET (0.51) ALKJAK2JAK3JAK1TYK2
SCHEMBL982952 0.87 JAK2 (0.53) ALKJAK2MAP4K3METGRK5

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 15 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

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 ALK 23/4885JAK2 33/4885JAK3 155/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 ALK 23/4885JAK2 33/4885JAK3 155/4885

“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.