SCHEMBL986820

SCHEMBL986820

Cc1nn(C2CCNCC2)c(C)c1-c1cnc(N)c(-c2nnnn2-c2cccc(F)c2F)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
KCNN4 O15554 6/20 0.35
GRK2 P25098 1/20 0.34
GRK5 P34947 1/20 0.34
MAP4K3 Q8IVH8 3/20 0.34
FGFR1 P11362 3/20 0.34
FGFR2 P21802 3/20 0.34
FGFR3 P22607 3/20 0.34
MET P08581 2/20 0.33
ALK Q9UM73 2/20 0.32
LRRK2 Q5S007 1/20 0.32
INSR P06213 1/20 0.32
NPM1 P06748 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL983690 0.92 CHRNB2 (0.37) CHRNB2CHRNA4KCNN4MAP4K3FGFR1
SCHEMBL985969 0.81 GRK5 (0.52) GRK2GRK5MAP4K3FGFR1FGFR2
SCHEMBL986724 0.81 GRK5 (0.39) KCNN4GRK2GRK5MAP4K3FGFR1
SCHEMBL984704 0.81 MET (0.47) KCNN4GRK2GRK5MAP4K3FGFR1
SCHEMBL985089 0.80 JAK2 (0.41) KCNN4GRK2GRK5MAP4K3LRRK2
SCHEMBL986049 0.79 KCNN4 (0.34) KCNN4GRK2GRK5MAP4K3FGFR1
SCHEMBL986964 0.79 GRK5 (0.49) GRK2GRK5MAP4K3FGFR1FGFR2
SCHEMBL985847 0.78 GRK5 (0.47) GRK2GRK5MAP4K3FGFR1FGFR2
SCHEMBL984830 0.78 GRK5 (0.47) GRK2GRK5MAP4K3FGFR1FGFR2
SCHEMBL984834 0.78 GRK5 (0.47) GRK2GRK5MAP4K3FGFR1FGFR2

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 CHRNB2 4546/4885CHRNA4 4749/4885KCNN4 4013/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 CHRNB2 4546/4885CHRNA4 4749/4885KCNN4 4013/4885

“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.