SCHEMBL4872228

SCHEMBL4872228

Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(Cl)cc23)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.50
BCAT1 P54687 1/20 0.41
CLK4 Q9HAZ1 4/20 0.40
MAP4K4 O95819 3/20 0.40
GSK3B P49841 3/20 0.40
IRAK4 Q9NWZ3 3/20 0.40
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
STK17A Q9UEE5 3/20 0.40
DYRK3 O43781 2/20 0.40
PRKD3 O94806 2/20 0.40
ABL1 P00519 2/20 0.40
EGFR P00533 2/20 0.40
NTRK1 P04629 2/20 0.40
LCK P06239 2/20 0.40
FYN P06241 2/20 0.40
CDK1 P06493 2/20 0.40
CSF1R P07333 2/20 0.40
LYN P07948 2/20 0.40
SRC P12931 2/20 0.40

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
SCHEMBL4827673 0.88 BCAT1 (0.42) JAK2BCAT1CLK4MAP4K4GSK3B
SCHEMBL4824451 0.86 BCAT1 (0.41) BCAT1CLK4MAP4K4GSK3BIRAK4
SCHEMBL4831549 0.86 CDK2 (0.50) JAK2BCAT1CLK4MAP4K4GSK3B
SCHEMBL4831134 0.86 DYRK1A (0.42) BCAT1CLK4MAP4K4GSK3BIRAK4
SCHEMBL4825344 0.86 AXL (0.40) JAK2BCAT1CLK4MAP4K4GSK3B
SCHEMBL4829590 0.85 CDC7 (0.51) BCAT1CLK4MAP4K4GSK3BIRAK4
SCHEMBL4829375 0.84 DYRK1A (0.42) BCAT1CLK4MAP4K4GSK3BIRAK4
SCHEMBL4831294 0.84 AXL (0.56) CLK4MAP4K4GSK3BIRAK4ROCK2
SCHEMBL4829477 0.84 CDK2 (0.43) BCAT1CLK4MAP4K4GSK3BIRAK4
SCHEMBL4823378 0.84 BCAT1 (0.39) BCAT1CLK4MAP4K4GSK3BIRAK4

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 5 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
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
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 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 (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 JAK2 206/4885BCAT1 1341/4885CLK4 557/4885

“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.