SCHEMBL986365

SCHEMBL986365

Nc1ncc(-c2cnn(C3CCN(C4CCC4)CC3)c2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.42
BTK Q06187 1/20 0.40
GRK2 P25098 1/20 0.40
GRK5 P34947 1/20 0.40
ALK Q9UM73 1/20 0.39
NTRK1 P04629 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
KCNH2 Q12809 2/20 0.38
MAP4K3 Q8IVH8 1/20 0.37

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
SCHEMBL985187 0.93 GRK2 (0.42) METBTKGRK2GRK5ALK
SCHEMBL988046 0.90 MET (0.52) METBTKGRK2GRK5ALK
SCHEMBL982717 0.89 MET (0.43) METBTKGRK2GRK5ALK
SCHEMBL988291 0.88 MET (0.43) METBTKGRK2GRK5NTRK1
SCHEMBL986964 0.88 GRK5 (0.49) METGRK2GRK5ALKNTRK1
SCHEMBL982696 0.88 FGFR1 (0.44) METBTKGRK2GRK5ALK
SCHEMBL986087 0.88 BTK (0.44) METBTKGRK2GRK5ALK
SCHEMBL987724 0.88 MET (0.42) METBTKGRK2GRK5ALK
SCHEMBL985312 0.88 MET (0.51) METGRK2GRK5FGFR1KCNH2
SCHEMBL985969 0.88 GRK5 (0.52) METGRK2GRK5ALKNTRK1

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 MET 1/4885BTK 164/4885GRK2 174/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 MET 1/4885BTK 164/4885GRK2 174/4885

“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.