SCHEMBL4827653

SCHEMBL4827653

CC1(C)OB(c2cnc3[nH]cc(C(=O)Cc4cccc(F)c4F)c3c2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.39
GSK3B P49841 3/20 0.39
AXL P30530 4/20 0.36
ROCK1 Q13464 3/20 0.36
MAP4K4 O95819 3/20 0.36
ABL1 P00519 3/20 0.36
LCK P06239 3/20 0.36
FYN P06241 3/20 0.36
CSF1R P07333 3/20 0.36
LYN P07948 3/20 0.36
SRC P12931 3/20 0.36
FLT3 P36888 3/20 0.36
FRK P42685 3/20 0.36
CLK2 P49760 3/20 0.36
BLK P51451 3/20 0.36
PTK6 Q13882 3/20 0.36
MINK1 Q8N4C8 3/20 0.36
SLK Q9H2G2 3/20 0.36
MAP4K5 Q9Y4K4 3/20 0.36
DCLK1 O15075 2/20 0.36

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
SCHEMBL5257614 0.82 GSK3A (0.36) GSK3AGSK3BAXLROCK1MAP4K4
SCHEMBL4831382 0.79 BRAF (0.47) GSK3AGSK3BAXLROCK1MAP4K4
SCHEMBL4831235 0.78 AXL (0.43) GSK3AGSK3BAXLROCK1MAP4K4
SCHEMBL4828081 0.77 DYRK1A (0.39) GSK3AGSK3BAXLROCK1MAP4K4
SCHEMBL4828071 0.77 AXL (0.39) GSK3AGSK3BAXLROCK1MAP4K4
SCHEMBL8291682 0.76 DCLK1 (0.38) GSK3AGSK3BAXLROCK1MAP4K4
SCHEMBL2044384 0.76 BRAF (0.46) MAP4K4ABL1LCKFYNCSF1R
SCHEMBL24479123 0.74 AXL (0.53) GSK3AGSK3BAXLDGAT1KDR
SCHEMBL4831413 0.74 MAP2K1 (0.50) BRAFMAP2K1CDK2
SCHEMBL13506269 0.74 BRAF (0.46) MAP4K4ABL1LCKFYNCSF1R

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US disclosed
WO-2005028475-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-31 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 (1 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-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 GSK3A 274/4885GSK3B 334/4885AXL 1103/4885

“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.