SCHEMBL3449666

SCHEMBL3449666

COc1cc(Nc2ncc(-c3ccc(C(=O)NS(C)(=O)=O)c(OCCCS(C)(=O)=O)n3)c(-n3ccc(C(F)(F)F)n3)n2)cc(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.35
CNR2 P34972 2/20 0.34
EGFR P00533 4/20 0.34
ITK Q08881 2/20 0.34
CDK2 P24941 6/20 0.33
GSK3B P49841 4/20 0.33
CDK4 P11802 2/20 0.33
CDK9 P50750 2/20 0.33
STK16 O75716 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MAPK3 P27361 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SYK P43405 1/20 0.32
DAPK1 P53355 1/20 0.32

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
SCHEMBL13312620 0.90 SCN9A (0.35) AXLCNR2EGFRSYKDAPK1
SCHEMBL3449654 0.87 SYK (0.35) AXLCNR2EGFRITKCDK2
SCHEMBL3448707 0.85 AXL (0.35) AXLCNR2EGFRITKCDK2
SCHEMBL13312615 0.84 SYK (0.37) AXLCNR2EGFRITKMAPK3
SCHEMBL3450528 0.83 SCN9A (0.39) AXLSYKDAPK1SCN9A
SCHEMBL13312583 0.82 SIRT5 (0.39) AXLEGFRITKCDK2CDK9
SCHEMBL3448967 0.81 CNR2 (0.36) AXLCNR2EGFRGSK3BCLK4
SCHEMBL3450731 0.79 SCN9A (0.40) DAPK1SCN9A
SCHEMBL3449315 0.79 AXL (0.37) AXLCNR2EGFRMAPK3HDAC3
SCHEMBL3447527 0.79 AXL (0.37) AXLCNR2MAPK3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD AXL 2812/4885CNR2 517/4885EGFR 2771/4885

“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.