SCHEMBL987452

SCHEMBL987452

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.57
MAP4K3 Q8IVH8 7/20 0.53
JAK2 O60674 5/20 0.51
ALK Q9UM73 5/20 0.49
AXL P30530 3/20 0.49
MST1R Q04912 3/20 0.49
KCNH2 Q12809 3/20 0.49
FGFR3 P22607 3/20 0.49
JAK3 P52333 3/20 0.49
FGFR1 P11362 2/20 0.49
PLK4 O00444 2/20 0.49
AURKA O14965 2/20 0.49
DCLK1 O15075 2/20 0.49
PRKD3 O94806 2/20 0.49
ABL1 P00519 2/20 0.49
NTRK1 P04629 2/20 0.49
INSR P06213 2/20 0.49
LCK P06239 2/20 0.49
FES P07332 2/20 0.49
CSF1R P07333 2/20 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
SCHEMBL986517 0.92 ALK (0.56) METMAP4K3JAK2ALKAXL
SCHEMBL988275 0.92 MET (0.57) METMAP4K3JAK2ALKAXL
SCHEMBL986477 0.92 MET (0.57) METMAP4K3JAK2KCNH2FGFR3
SCHEMBL12539023 0.87 MET (0.51) METMAP4K3JAK2ALKKCNH2
SCHEMBL982952 0.87 JAK2 (0.53) METMAP4K3JAK2ALKKCNH2
SCHEMBL986888 0.87 JAK2 (0.55) METMAP4K3JAK2ALKKCNH2
SCHEMBL987109 0.86 JAK2 (0.56) METMAP4K3JAK2ALKKCNH2
SCHEMBL985759 0.86 JAK2 (0.52) METMAP4K3JAK2ALKAXL
SCHEMBL984708 0.86 MAP4K3 (0.55) METMAP4K3JAK2ALKAXL
SCHEMBL986491 0.85 NTRK1 (0.54) METMAP4K3JAK2ALKKCNH2

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
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 1/4885MAP4K3 122/4885JAK2 33/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 MET 1/4885MAP4K3 122/4885JAK2 33/4885

“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.