SCHEMBL4829375

SCHEMBL4829375

COc1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.42
CLK1 P49759 3/20 0.42
NTRK1 P04629 2/20 0.42
KIT P10721 6/20 0.41
NEK1 Q96PY6 1/20 0.39
BCAT1 P54687 1/20 0.39
BTK Q06187 2/20 0.39
ITK Q08881 1/20 0.39
DCLK1 O15075 1/20 0.39
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CDK1 P06493 1/20 0.39
CSF1R P07333 1/20 0.39
LYN P07948 1/20 0.39

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
SCHEMBL4831389 0.89 DYRK1A (0.52) DYRK1ACLK1NTRK1KITNEK1
SCHEMBL4831106 0.87 NTRK1 (0.46) DYRK1ACLK1NTRK1KITNEK1
SCHEMBL4824451 0.87 BCAT1 (0.41) DYRK1ANTRK1KITBCAT1BTK
SCHEMBL4827673 0.86 BCAT1 (0.42) DYRK1ACLK1NTRK1KITBCAT1
SCHEMBL4829063 0.85 AXL (0.48) DYRK1ACLK1NTRK1KITNEK1
SCHEMBL4872228 0.84 JAK2 (0.50) DYRK1ANTRK1KITBCAT1BTK
SCHEMBL4831134 0.84 DYRK1A (0.42) DYRK1ACLK1NTRK1KITBCAT1
SCHEMBL4831549 0.84 CDK2 (0.50) DYRK1ANTRK1KITBCAT1BTK
SCHEMBL4829590 0.83 CDC7 (0.51) DYRK1ABCAT1ROCK2PRKD3MAP4K4
SCHEMBL4829524 0.83 NTRK1 (0.42) DYRK1ACLK1NTRK1KITNEK1

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 DYRK1A 832/4885CLK1 444/4885NTRK1 1926/4885

“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.