SCHEMBL988282

SCHEMBL988282

COc1ccc(F)cc1-n1nnnc1-c1cc(-c2cnn(C3CCNCC3)c2)cnc1N

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.59
JAK1 P23458 3/20 0.59
TYK2 P29597 3/20 0.59
JAK3 P52333 3/20 0.59
MAP4K3 Q8IVH8 5/20 0.54
FGFR1 P11362 3/20 0.54
FGFR2 P21802 3/20 0.54
FGFR3 P22607 3/20 0.54
ALK Q9UM73 2/20 0.52
GRK5 P34947 5/20 0.50
GRK2 P25098 4/20 0.49
NTRK1 P04629 1/20 0.49
MET P08581 1/20 0.48

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
SCHEMBL1425297 0.91 JAK2 (0.54) JAK2JAK1TYK2JAK3MAP4K3
SCHEMBL28802167 0.91 MAP4K3 (0.55) JAK2JAK1TYK2JAK3MAP4K3
SCHEMBL986491 0.89 NTRK1 (0.54) JAK2JAK1TYK2JAK3MAP4K3
SCHEMBL12538512 0.89 JAK2 (0.52) JAK2JAK1TYK2JAK3MAP4K3
SCHEMBL12539061 0.88 FGFR3 (0.55) JAK2JAK1TYK2JAK3MAP4K3
SCHEMBL986517 0.88 ALK (0.56) JAK2JAK1TYK2JAK3MAP4K3
SCHEMBL12538870 0.87 JAK2 (0.49) JAK2JAK1TYK2JAK3MAP4K3
SCHEMBL12538552 0.87 JAK2 (0.49) JAK2JAK1TYK2JAK3MAP4K3
SCHEMBL12539055 0.87 FGFR1 (0.57) JAK2JAK1TYK2JAK3MAP4K3
SCHEMBL27900706 0.87 FGFR3 (0.55) JAK2JAK1TYK2JAK3MAP4K3

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
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 JAK2 33/4885JAK1 133/4885TYK2 948/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 JAK2 33/4885JAK1 133/4885TYK2 948/4885

“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.