SCHEMBL4833142

SCHEMBL4833142

Fc1cccc(-n2cnnc2-c2c[nH]c3ncc(Br)cc23)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 3/20 0.46
MAP4K4 O95819 3/20 0.46
CDK1 P06493 3/20 0.46
MARK3 P27448 3/20 0.46
FLT4 P35916 3/20 0.46
FLT3 P36888 3/20 0.46
FRK P42685 3/20 0.46
CLK2 P49760 3/20 0.46
NEK4 P51957 3/20 0.46
MAP4K2 Q12851 3/20 0.46
CAMK2B Q13554 3/20 0.46
CAMK2G Q13555 3/20 0.46
CAMK2D Q13557 3/20 0.46
NTRK3 Q16288 3/20 0.46
PKN2 Q16513 3/20 0.46
MARK2 Q7KZI7 3/20 0.46
MINK1 Q8N4C8 3/20 0.46
PRKD2 Q9BZL6 3/20 0.46
SLK Q9H2G2 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46

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
SCHEMBL4832788 0.85 DYRK1A (0.39) PRKD3MAP4K4CDK1MARK3FLT4
SCHEMBL4831605 0.84 NTRK1 (0.47) DYRK1AAXLNTRK1KITPDPK1
SCHEMBL4831036 0.84 MAPK1 (0.45) PRKD3MAP4K4CDK1MARK3FLT4
SCHEMBL4832730 0.83 CDK2 (0.45) MAP4K4CDK1CLK4IRAK4STK17A
SCHEMBL4831383 0.82 DYRK1A (0.49) MAP4K4CLK4IRAK4DYRK1AROCK2
SCHEMBL4829553 0.81 MAPK8 (0.50) DYRK1AMAPK8AXLNTRK1MAPK9
SCHEMBL984208 0.79 ALDH1A1 (0.35) HCAR1ALDH1A1
SCHEMBL4824548 0.79 MAP4K1 (0.43) DYRK1AAXLALKKITCDK8
SCHEMBL4829240 0.78 MAP4K1 (0.52) AXLPIM1
SCHEMBL4827257 0.78 MAP4K1 (0.53) FLT3DYRK1ARPS6KA3TNIKCLK1

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
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

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 PRKD3 84/4885MAP4K4 45/4885CDK1 100/4885

“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.