SCHEMBL3449654

SCHEMBL3449654

COc1cc(Nc2ncc(-c3ccnc(OCCCS(C)(=O)=O)c3C(=O)NS(C)(=O)=O)c(-n3ccc(C(F)(F)F)n3)n2)cc(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.35
AXL P30530 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
EGFR P00533 4/20 0.34
ITK Q08881 2/20 0.34
MAPK3 P27361 1/20 0.33
CNR2 P34972 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
GSK3B P49841 3/20 0.32
CDK2 P24941 2/20 0.32
ZAP70 P43403 2/20 0.32
KARS1 Q15046 1/20 0.32
STK16 O75716 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
CLK4 Q9HAZ1 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 0.87 SCN9A (0.35) SYKAXLEGFRCNR2
SCHEMBL3449666 0.87 AXL (0.35) SYKAXLEGFRITKMAPK3
SCHEMBL13312615 0.82 SYK (0.37) SYKAXLEGFRITKMAPK3
SCHEMBL3448707 0.82 AXL (0.35) SYKAXLEGFRITKMAPK3
SCHEMBL13312583 0.80 SIRT5 (0.39) SYKAXLEGFRITKCDK2
SCHEMBL3450528 0.80 SCN9A (0.39) SYKAXL
SCHEMBL3449646 0.79 AXL (0.40) AXLGPBAR1EGFRITKMAPK3
SCHEMBL3448186 0.79 SYK (0.42) SYKAXLEGFRMAPK3HDAC3
SCHEMBL3448967 0.78 CNR2 (0.36) SYKAXLEGFRMAPK3CNR2
SCHEMBL3451183 0.77 CNR2 (0.39) AXLCNR2

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 SYK 804/4885AXL 2812/4885GPBAR1 395/4885

“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.