SCHEMBL4831382

SCHEMBL4831382

O=C(Cc1cccc(F)c1F)c1c[nH]c2ncc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.47
AXL P30530 5/20 0.41
MAP4K4 O95819 4/20 0.41
FLT3 P36888 4/20 0.41
FRK P42685 4/20 0.41
CLK2 P49760 4/20 0.41
MINK1 Q8N4C8 4/20 0.41
SLK Q9H2G2 4/20 0.41
MAP4K5 Q9Y4K4 4/20 0.41
PRKD3 O94806 3/20 0.41
CDK1 P06493 3/20 0.41
MARK3 P27448 3/20 0.41
FLT4 P35916 3/20 0.41
NEK4 P51957 3/20 0.41
MAP4K2 Q12851 3/20 0.41
CAMK2B Q13554 3/20 0.41
CAMK2G Q13555 3/20 0.41
CAMK2D Q13557 3/20 0.41
NTRK3 Q16288 3/20 0.41
PKN2 Q16513 3/20 0.41

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
SCHEMBL4831235 0.86 AXL (0.43) BRAFAXLMAP4K4FLT3FRK
SCHEMBL4828071 0.82 AXL (0.39) BRAFAXLMAP4K4FLT3FRK
SCHEMBL4828081 0.82 DYRK1A (0.39) BRAFAXLMAP4K4FLT3FRK
SCHEMBL4831413 0.81 MAP2K1 (0.50) BRAFCDK2MAP2K1
SCHEMBL8291682 0.81 DCLK1 (0.38) BRAFAXLMAP4K4FLT3FRK
SCHEMBL14002608 0.80 GSK3B (0.36) BRAFMAP4K4CLK2MINK1SLK
SCHEMBL4829365 0.79 BTK (0.36) BRAFAXLMAP4K4FLT3FRK
SCHEMBL4827653 0.79 GSK3A (0.39) BRAFAXLMAP4K4FLT3FRK
SCHEMBL14002577 0.79 FFAR1 (0.41) AXLMAP4K4FLT3FRKCLK2
SCHEMBL4827683 0.79 FFAR1 (0.41) AXLMAP4K4FLT3FRKCLK2

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 9 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
EP-1664043-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-06-07 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
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 BRAF 49/4885AXL 1103/4885MAP4K4 45/4885

“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.